STK049188

CAS Number: 6239-43-6

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CCC(N(C1c2cnccc2)c(cccc2)c2NC(CC(C2)c3ccccc3)=C1C2=O)=O

Molecule Information

Mutagenic: none Tumorigenic: none Irritant: none

Formula

C27H25N3O2

Molecular Weight

423.515

Drug-likeness

4.1024

CAS

6239-43-6

InChI key

GWIFMXIJQVIINZ-UHFFFAOYSA-N

SMILES

CCC(N(C1c2cnccc2)c(cccc2)c2NC(CC(C2)c3ccccc3)=C1C2=O)=O

ChemrytIQ

CAS Information Snapshot

3 database items

Mutagenic

none

Tumorigenic

none

Handling Watch

Irritant: none | Reproductive effective: none

Molecule Information
Related CAS

Property	Value
CAS Number	6239-43-6
Molecule Name	STK049188
Molecular Formula	C27H25N3O2
SMILES	CCC(N(C1c2cnccc2)c(cccc2)c2NC(CC(C2)c3ccccc3)=C1C2=O)=O
InChI	InChI=1S/C27H25N3O2/c1-2-25(32)30-23-13-7-6-12-21(23)29-22-15-20(18-9-4-3-5-10-18)16-24(31)26(22)27(30)19-11-8-14-28-17-19/h3-14,17,20,27,29H,2,15-16H2,1H3
InChI Key	GWIFMXIJQVIINZ-UHFFFAOYSA-N
CanonicalSyTyLFy	679acb46faaab670
TotalMolweight	423.515
Molecular Weight	423.515
MonoisotopicMass	423.194677
CLogP	4.5331
CLogS	-5.094
H Acceptors	5
H Donors	1
TotalSurfaceArea	323.26
Relative PSA	0.16105
PolarSurfaceArea	62.3
Drug-likeness	4.1024
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.40625
Molecula Flexibility	0.27292
Molecular Complexity	0.96072
Fragments	1
Non HAtoms	32
NonCHAtoms	5
Electronegative Atoms	5
StereoCenters	2
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon	unknown chirality

Property	Value
CAS Number	6239-43-6
Molecule Name	STK049188
Molecular Formula	C27H25N3O2
SMILES	CCC(N(C1c2cnccc2)c(cccc2)c2NC(CC(C2)c3ccccc3)=C1C2=O)=O
InChI	InChI=1S/C27H25N3O2/c1-2-25(32)30-23-13-7-6-12-21(23)29-22-15-20(18-9-4-3-5-10-18)16-24(31)26(22)27(30)19-11-8-14-28-17-19/h3-14,17,20,27,29H,2,15-16H2,1H3
InChI Key	GWIFMXIJQVIINZ-UHFFFAOYSA-N
CanonicalSyTyLFy	679acb46faaab670
TotalMolweight	423.515
Molecular Weight	423.515
MonoisotopicMass	423.194677
CLogP	4.5331
CLogS	-5.094
H Acceptors	5
H Donors	1
TotalSurfaceArea	323.26
Relative PSA	0.16105
PolarSurfaceArea	62.3
Drug-likeness	4.1024
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.40625
Molecula Flexibility	0.27292
Molecular Complexity	0.96072
Fragments	1
Non HAtoms	32
NonCHAtoms	5
Electronegative Atoms	5
StereoCenters	2
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon	unknown chirality

Property	Value
CAS Number	6239-43-6
Molecule Name	STK049188
Molecular Formula	C27H25N3O2
SMILES	CCC(N(C1c2cnccc2)c(cccc2)c2NC(CC(C2)c3ccccc3)=C1C2=O)=O
InChI	InChI=1S/C27H25N3O2/c1-2-25(32)30-23-13-7-6-12-21(23)29-22-15-20(18-9-4-3-5-10-18)16-24(31)26(22)27(30)19-11-8-14-28-17-19/h3-14,17,20,27,29H,2,15-16H2,1H3
InChI Key	GWIFMXIJQVIINZ-UHFFFAOYSA-N
CanonicalSyTyLFy	679acb46faaab670
TotalMolweight	423.515
Molecular Weight	423.515
MonoisotopicMass	423.194677
CLogP	4.5331
CLogS	-5.094
H Acceptors	5
H Donors	1
TotalSurfaceArea	323.26
Relative PSA	0.16105
PolarSurfaceArea	62.3
Drug-likeness	4.1024
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.40625
Molecula Flexibility	0.27292
Molecular Complexity	0.96072
Fragments	1
Non HAtoms	32
NonCHAtoms	5
Electronegative Atoms	5
StereoCenters	2
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon	unknown chirality

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10003-94-8	none	none	none	C9H16N2O18P4	564.118	-31.509	ChemrytIQ
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1000-67-5	none	none	high	C4H9O4S.Na	153.177	-10.412	ChemrytIQ
100-07-2	high	high	low	C8H7O2Cl	170.595	-10.49	ChemrytIQ
10-35-5	none	none	none	C4H6O2BrF	184.992	-23.473	ChemrytIQ
1000-43-7	high	high	high	C8H18Cl2Si	213.223	-31.848	ChemrytIQ
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1000339-13-8	low	none	low	C7H10NO4ClS	239.678	-21.883	ChemrytIQ
100-04-9	none	high	none	Cl.C8H10N3	148.188	-2.0275	ChemrytIQ
100002-29-7	none	none	none	C12H18N2O3	238.286	2.8956	ChemrytIQ
1000-68-6	none	none	none	C3H9NO3S2	171.24	-3.0843	ChemrytIQ
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1000000-13-4	high	high	high	C21H28O12	472.441	-0.17986	ChemrytIQ
1000-86-8	none	none	none	C7H12	96.1723	-10.397	ChemrytIQ
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1000-70-0	none	low	high	C7H18N2Si2	186.406	-43.673	ChemrytIQ
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1000339-30-9	none	none	none	C8H10N3Cl	183.641	2.1	ChemrytIQ
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100009-92-5	none	none	none	C20H23NO4	341.406	4.6216	ChemrytIQ
1000339-54-7	none	none	none	C9H7O2F3	204.147	-11.176	ChemrytIQ
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1000-22-2	low	high	low	C6H14O2FPS	200.213	-11.052	ChemrytIQ
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