4-chloro-3-[5-[(Z)-2-cyano-3-[2-(1H-indol-3-yl)ethylamino]-3-oxoprop-1-enyl]furan-2-yl]benzoic acid

Formula:C25H18N3O4Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-chloro-3-[5-[(Z)-2-cyano-3-[2-(1H-indol-3-yl)ethylamino]-3-oxoprop-1-enyl]furan-2-yl]benzoic acid is a drug-like molecule.

MolName	4-chloro-3-[5-[(Z)-2-cyano-3-[2-(1H-indol-3-yl)ethylamino]-3-oxoprop-1-enyl]furan-2-yl]benzoic acid
MolecularFormula	C25H18N3O4Cl
Smiles	N#C/C(/C(NCCc1c[nH]c2c1cccc2)=O)=C/c1ccc(-c(cc(cc2)C(O)=O)c2Cl)o1
InChI	InChI=1S/C25H18ClN3O4/c26-21-7-5-15(25(31)32)12-20(21)23-8-6-18(33-23)11-17(13-27)24(30)28-10-9-16-14-29-22-4-2-1-3-19(16)22/h1-8,11-12,14,29H,9-10H2,(H,28,30)(H,31,32)
InChIK	MZUDRUZINQYTFM-UHFFFAOYSA-N
TotalMolweight	459.888
Molweight	459.888
MonoisotopicMass	459.098584
CLogP	4.1972
CLogS	-6.432
H Acceptors	7
H Donors	3
TotalSurfaceArea	349.31
Relative PSA	0.26424
PolarSurfaceArea	119.12
Druglikeness	0.01779
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.57576
Fragments	1
Non HAtoms	33
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	3
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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1 - 4-chloro-3-[5-[(Z)-2-cyano-3-[2-(1H-indol-3-yl)ethylamino]-3-oxoprop-1-enyl]furan-2-yl]benzoic acid | 2 - 4-chloro-3-[5-[(Z)-2-cyano-3-[2-(1H-indol-3-yl)ethylamino]-3-oxoprop-1-enyl]furan-2-yl]benzoic acid

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