3-amino-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-6-(4-chlorophenyl)-4-phenylfuro[2,3-b]pyridine-2-carboxamide

Formula:C28H19N4O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-amino-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-6-(4-chlorophenyl)-4-phenylfuro[2,3-b]pyridine-2-carboxamide is not a drug-like molecule.

MolName	3-amino-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-6-(4-chlorophenyl)-4-phenylfuro[2,3-b]pyridine-2-carboxamide
MolecularFormula	C28H19N4O4Cl
Smiles	Nc1c(C(N/N=C\c(cc2)cc3c2OCO3)=O)oc2c1c(-c1ccccc1)cc(-c(cc1)ccc1Cl)n2
InChI	InChI=1S/C28H19ClN4O4/c29-19-9-7-18(8-10-19)21-13-20(17-4-2-1-3-5-17)24-25(30)26(37-28(24)32-21)27(34)33-31-14-16-6-11-22-23(12-16)36-15-35-22/h1-14H,15,30H2,(H,33,34)
InChIK	OPVQIYNRBUBALT-UHFFFAOYSA-N
TotalMolweight	510.936
Molweight	510.936
MonoisotopicMass	510.109483
CLogP	6.4387
CLogS	-10.341
H Acceptors	8
H Donors	2
TotalSurfaceArea	373.76
Relative PSA	0.25781
PolarSurfaceArea	111.97
Druglikeness	4.4716
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.51351
Fragments	1
Non HAtoms	37
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	4
Symmetricatoms	4
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	1
StereoCon

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1 - 3-amino-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-6-(4-chlorophenyl)-4-phenylfuro[2,3-b]pyridine-2-carboxamide | 2 - 3-amino-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-6-(4-chlorophenyl)-4-phenylfuro[2,3-b]pyridine-2-carboxamide

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