2-amino-N-(2-phenylethyl)-1-[(Z)-pyridin-4-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide

Formula:C25H21N7O Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-amino-N-(2-phenylethyl)-1-[(Z)-pyridin-4-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide is a drug-like molecule.

MolName	2-amino-N-(2-phenylethyl)-1-[(Z)-pyridin-4-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
MolecularFormula	C25H21N7O
Smiles	Nc1c(C(NCCc2ccccc2)=O)c2nc3ccccc3nc2n1/N=C\c1ccncc1
InChI	InChI=1S/C25H21N7O/c26-23-21(25(33)28-15-12-17-6-2-1-3-7-17)22-24(31-20-9-5-4-8-19(20)30-22)32(23)29-16-18-10-13-27-14-11-18/h1-11,13-14,16H,12,15,26H2,(H,28,33)
InChIK	SUSLRAJZCFTMSB-UHFFFAOYSA-N
TotalMolweight	435.49
Molweight	435.49
MonoisotopicMass	435.180758
CLogP	3.301
CLogS	-7.677
H Acceptors	8
H Donors	2
TotalSurfaceArea	337.47
Relative PSA	0.26983
PolarSurfaceArea	111.08
Druglikeness	5.9923
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	5
Aromatic Atoms	25
Sp3Atoms	3
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	4
StereoCon

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