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

Formula:C26H26N6O Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-amino-1-[(Z)-benzylideneamino]-N-[2-(cyclohexen-1-yl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide is a drug-like molecule.

MolName	2-amino-1-[(Z)-benzylideneamino]-N-[2-(cyclohexen-1-yl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
MolecularFormula	C26H26N6O
Smiles	Nc1c(C(NCCC2=CCCCC2)=O)c2nc3ccccc3nc2n1/N=C\c1ccccc1
InChI	InChI=1S/C26H26N6O/c27-24-22(26(33)28-16-15-18-9-3-1-4-10-18)23-25(31-21-14-8-7-13-20(21)30-23)32(24)29-17-19-11-5-2-6-12-19/h2,5-9,11-14,17H,1,3-4,10,15-16,27H2,(H,28,33)
InChIK	OPNFNWOOJDYCHT-UHFFFAOYSA-N
TotalMolweight	438.533
Molweight	438.533
MonoisotopicMass	438.216809
CLogP	4.554
CLogS	-8.669
H Acceptors	7
H Donors	2
TotalSurfaceArea	345.2
Relative PSA	0.23201
PolarSurfaceArea	98.19
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	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	19
Sp3Atoms	7
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	3
StereoCon

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

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