(E)-3-[1-(4-chlorophenyl)pyrrol-2-yl]-2-cyano-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide

Formula:C24H19N4OCl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[1-(4-chlorophenyl)pyrrol-2-yl]-2-cyano-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide is a drug-like molecule.

MolName	(E)-3-[1-(4-chlorophenyl)pyrrol-2-yl]-2-cyano-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
MolecularFormula	C24H19N4OCl
Smiles	N#C/C(/C(NCCc1c[nH]c2c1cccc2)=O)=C\c1cccn1-c(cc1)ccc1Cl
InChI	InChI=1S/C24H19ClN4O/c25-19-7-9-20(10-8-19)29-13-3-4-21(29)14-18(15-26)24(30)27-12-11-17-16-28-23-6-2-1-5-22(17)23/h1-10,13-14,16,28H,11-12H2,(H,27,30)
InChIK	BSALFTUVBDFFCP-UHFFFAOYSA-N
TotalMolweight	414.895
Molweight	414.895
MonoisotopicMass	414.124738
CLogP	4.0121
CLogS	-7.296
H Acceptors	5
H Donors	2
TotalSurfaceArea	324.72
Relative PSA	0.18145
PolarSurfaceArea	73.61
Druglikeness	-0.048333
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	2
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

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