2-amino-N-[2-(cyclohexen-1-yl)ethyl]-1-[(Z)-thiophen-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide

Formula:C24H24N6OS Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-amino-N-[2-(cyclohexen-1-yl)ethyl]-1-[(Z)-thiophen-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide is a drug-like molecule.

MolName	2-amino-N-[2-(cyclohexen-1-yl)ethyl]-1-[(Z)-thiophen-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
MolecularFormula	C24H24N6OS
Smiles	Nc1c(C(NCCC2=CCCCC2)=O)c2nc3ccccc3nc2n1/N=C\c1cccs1
InChI	InChI=1S/C24H24N6OS/c25-22-20(24(31)26-13-12-16-7-2-1-3-8-16)21-23(29-19-11-5-4-10-18(19)28-21)30(22)27-15-17-9-6-14-32-17/h4-7,9-11,14-15H,1-3,8,12-13,25H2,(H,26,31)
InChIK	YEWZGTQHGILUGF-UHFFFAOYSA-N
TotalMolweight	444.562
Molweight	444.562
MonoisotopicMass	444.173229
CLogP	4.4206
CLogS	-8.679
H Acceptors	7
H Donors	2
TotalSurfaceArea	341.14
Relative PSA	0.29445
PolarSurfaceArea	126.43
Druglikeness	1.2364
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.5
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	18
Sp3Atoms	7
Amides	1
Aromatic Nitrogens	3
StereoCon

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1 - 2-amino-N-[2-(cyclohexen-1-yl)ethyl]-1-[(Z)-thiophen-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide | 2 - 2-amino-N-[2-(cyclohexen-1-yl)ethyl]-1-[(Z)-thiophen-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide

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