5-amino-2-(2-cyclohexylethyl)-6-[(Z)-indol-3-ylidenemethyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Formula:C22H23N5OS Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-amino-2-(2-cyclohexylethyl)-6-[(Z)-indol-3-ylidenemethyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.

MolName	5-amino-2-(2-cyclohexylethyl)-6-[(Z)-indol-3-ylidenemethyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C22H23N5OS
Smiles	NC(N1N=C(CCC2CCCCC2)SC1=N1)=C(/C=C2/c(cccc3)c3N=C2)C1=O
InChI	InChI=1S/C22H23N5OS/c23-20-17(12-15-13-24-18-9-5-4-8-16(15)18)21(28)25-22-27(20)26-19(29-22)11-10-14-6-2-1-3-7-14/h4-5,8-9,12-14H,1-3,6-7,10-11,23H2
InChIK	QZUJLGKRHSWXIE-UHFFFAOYSA-N
TotalMolweight	405.525
Molweight	405.525
MonoisotopicMass	405.16233
CLogP	2.9659
CLogS	-5.67
H Acceptors	6
H Donors	1
TotalSurfaceArea	300.47
Relative PSA	0.27916
PolarSurfaceArea	108.71
Druglikeness	0.67401
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	9
Symmetricatoms	2
BasicNitrogens	1
StereoCon

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1 - 5-amino-2-(2-cyclohexylethyl)-6-[(Z)-indol-3-ylidenemethyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | 2 - 5-amino-2-(2-cyclohexylethyl)-6-[(Z)-indol-3-ylidenemethyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

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