8-chloro-3-[(Z)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione

Formula:C20H15N4O2Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 8-chloro-3-[(Z)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione is a drug-like molecule.

MolName	8-chloro-3-[(Z)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
MolecularFormula	C20H15N4O2Cl
Smiles	C/C(/C=N\N(C(c([nH]c(cc1)c2cc1Cl)c2N1)=O)C1=O)=C/c1ccccc1
InChI	InChI=1S/C20H15ClN4O2/c1-12(9-13-5-3-2-4-6-13)11-22-25-19(26)18-17(24-20(25)27)15-10-14(21)7-8-16(15)23-18/h2-11,23H,1H3,(H,24,27)
InChIK	VQCFIVQULHZAKB-UHFFFAOYSA-N
TotalMolweight	378.818
Molweight	378.818
MonoisotopicMass	378.088353
CLogP	3.7471
CLogS	-5.799
H Acceptors	6
H Donors	2
TotalSurfaceArea	278.1
Relative PSA	0.23945
PolarSurfaceArea	77.56
Druglikeness	5.1753
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	1
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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1 - 8-chloro-3-[(Z)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione | 2 - 8-chloro-3-[(Z)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione

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