3-[(Z)-anthracen-9-ylmethylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione

Formula:C25H16N4O2 Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-[(Z)-anthracen-9-ylmethylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione is a drug-like molecule.

MolName	3-[(Z)-anthracen-9-ylmethylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
MolecularFormula	C25H16N4O2
Smiles	O=C(c([nH]c1c2cccc1)c2NC1=O)N1/N=C\c1c(cccc2)c2cc2ccccc12
InChI	InChI=1S/C25H16N4O2/c30-24-23-22(19-11-5-6-12-21(19)27-23)28-25(31)29(24)26-14-20-17-9-3-1-7-15(17)13-16-8-2-4-10-18(16)20/h1-14,27H,(H,28,31)
InChIK	JXQNYXSFPQBNFB-UHFFFAOYSA-N
TotalMolweight	404.428
Molweight	404.428
MonoisotopicMass	404.127326
CLogP	4.9052
CLogS	-7.859
H Acceptors	6
H Donors	2
TotalSurfaceArea	294.91
Relative PSA	0.2258
PolarSurfaceArea	77.56
Druglikeness	5.2827
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.45161
Fragments	1
Non HAtoms	31
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	2
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	23
Symmetricatoms	6
Amides	1
Aromatic Nitrogens	1
StereoCon

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1 - 3-[(Z)-anthracen-9-ylmethylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione | 2 - 3-[(Z)-anthracen-9-ylmethylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione

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