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

Formula:C22H17N7OS Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-amino-1-[(Z)-pyridin-2-ylmethylideneamino]-N-(thiophen-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide is a drug-like molecule.

MolName	2-amino-1-[(Z)-pyridin-2-ylmethylideneamino]-N-(thiophen-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
MolecularFormula	C22H17N7OS
Smiles	Nc1c(C(NCc2cccs2)=O)c2nc3ccccc3nc2n1/N=C\c1ncccc1
InChI	InChI=1S/C22H17N7OS/c23-20-18(22(30)25-13-15-7-5-11-31-15)19-21(28-17-9-2-1-8-16(17)27-19)29(20)26-12-14-6-3-4-10-24-14/h1-12H,13,23H2,(H,25,30)
InChIK	XYGPZABZNXRXQZ-UHFFFAOYSA-N
TotalMolweight	427.491
Molweight	427.491
MonoisotopicMass	427.121528
CLogP	2.7915
CLogS	-7.599
H Acceptors	8
H Donors	2
TotalSurfaceArea	319.65
Relative PSA	0.34857
PolarSurfaceArea	139.32
Druglikeness	7.3235
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	24
Sp3Atoms	2
Amides	1
Aromatic Nitrogens	4
StereoCon

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