7,8-dimethoxy-3-[(Z)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione

Formula:C22H20N4O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 7,8-dimethoxy-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	7,8-dimethoxy-3-[(Z)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
MolecularFormula	C22H20N4O4
Smiles	C/C(/C=N\N(C(c([nH]c(cc1OC)c2cc1OC)c2N1)=O)C1=O)=C/c1ccccc1
InChI	InChI=1S/C22H20N4O4/c1-13(9-14-7-5-4-6-8-14)12-23-26-21(27)20-19(25-22(26)28)15-10-17(29-2)18(30-3)11-16(15)24-20/h4-12,24H,1-3H3,(H,25,28)
InChIK	YANOKNHNNGRAEU-UHFFFAOYSA-N
TotalMolweight	404.425
Molweight	404.425
MonoisotopicMass	404.148456
CLogP	3.0011
CLogS	-5.099
H Acceptors	8
H Donors	2
TotalSurfaceArea	307.2
Relative PSA	0.28187
PolarSurfaceArea	96.02
Druglikeness	5.1722
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	5
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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1 - 7,8-dimethoxy-3-[(Z)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione | 2 - 7,8-dimethoxy-3-[(Z)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione

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