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

Formula:C27H24N6O Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-amino-1-[(Z)-benzylideneamino]-N-(3-phenylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide is a drug-like molecule.

MolName	2-amino-1-[(Z)-benzylideneamino]-N-(3-phenylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
MolecularFormula	C27H24N6O
Smiles	Nc1c(C(NCCCc2ccccc2)=O)c2nc3ccccc3nc2n1/N=C\c1ccccc1
InChI	InChI=1S/C27H24N6O/c28-25-23(27(34)29-17-9-14-19-10-3-1-4-11-19)24-26(32-22-16-8-7-15-21(22)31-24)33(25)30-18-20-12-5-2-6-13-20/h1-8,10-13,15-16,18H,9,14,17,28H2,(H,29,34)
InChIK	NBAFTJUGCZDECY-UHFFFAOYSA-N
TotalMolweight	448.529
Molweight	448.529
MonoisotopicMass	448.201159
CLogP	4.7563
CLogS	-8.742
H Acceptors	7
H Donors	2
TotalSurfaceArea	352.47
Relative PSA	0.22723
PolarSurfaceArea	98.19
Druglikeness	3.68
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.52941
Fragments	1
Non HAtoms	34
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	25
Sp3Atoms	4
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	3
StereoCon

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