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

Formula:C26H25N6OCl Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-amino-1-[(Z)-(3-chlorophenyl)methylideneamino]-N-[2-(cyclohexen-1-yl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide is not a drug-like molecule.

MolName	2-amino-1-[(Z)-(3-chlorophenyl)methylideneamino]-N-[2-(cyclohexen-1-yl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
MolecularFormula	C26H25N6OCl
Smiles	Nc1c(C(NCCC2=CCCCC2)=O)c2nc3ccccc3nc2n1/N=C\c1cccc(Cl)c1
InChI	InChI=1S/C26H25ClN6O/c27-19-10-6-9-18(15-19)16-30-33-24(28)22(26(34)29-14-13-17-7-2-1-3-8-17)23-25(33)32-21-12-5-4-11-20(21)31-23/h4-7,9-12,15-16H,1-3,8,13-14,28H2,(H,29,34)
InChIK	FTGMROUBWSAGMS-UHFFFAOYSA-N
TotalMolweight	472.979
Molweight	472.979
MonoisotopicMass	472.177836
CLogP	5.16
CLogS	-9.405
H Acceptors	7
H Donors	2
TotalSurfaceArea	360.62
Relative PSA	0.22209
PolarSurfaceArea	98.19
Druglikeness	0.044717
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.5
Fragments	1
Non HAtoms	34
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	19
Sp3Atoms	7
Amides	1
Aromatic Nitrogens	3
StereoCon

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

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