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

Formula:C25H25N7O Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-amino-N-[2-(cyclohexen-1-yl)ethyl]-1-[(Z)-pyridin-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)-pyridin-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
MolecularFormula	C25H25N7O
Smiles	Nc1c(C(NCCC2=CCCCC2)=O)c2nc3ccccc3nc2n1/N=C\c1ncccc1
InChI	InChI=1S/C25H25N7O/c26-23-21(25(33)28-15-13-17-8-2-1-3-9-17)22-24(31-20-12-5-4-11-19(20)30-22)32(23)29-16-18-10-6-7-14-27-18/h4-8,10-12,14,16H,1-3,9,13,15,26H2,(H,28,33)
InChIK	IAAWSXPXVKVPMR-UHFFFAOYSA-N
TotalMolweight	439.522
Molweight	439.522
MonoisotopicMass	439.212058
CLogP	3.6071
CLogS	-7.898
H Acceptors	8
H Donors	2
TotalSurfaceArea	343.96
Relative PSA	0.26474
PolarSurfaceArea	111.08
Druglikeness	0.0040479
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.51515
Fragments	1
Non HAtoms	33
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	4
StereoCon

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

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