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2-N-[(Z)-[4-[(Z)-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl]methylideneamino]-4-N-phenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine

Formula:C36H40N14 Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-N-[(Z)-[4-[(Z)-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl]methylideneamino]-4-N-phenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine is not a drug-like molecule.
MolName2-N-[(Z)-[4-[(Z)-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl]methylideneamino]-4-N-phenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
MolecularFormulaC36H40N14
SmilesC(CC1)CCN1c1nc(Nc2ccccc2)nc(N/N=C\c2ccc(/C=N\Nc3nc(Nc4ccccc4)nc(N4CCCCC4)n3)cc2)n1
InChIInChI=1S/C36H40N14/c1-5-13-29(14-6-1)39-31-41-33(45-35(43-31)49-21-9-3-10-22-49)47-37-25-27-17-19-28(20-18-27)26-38-48-34-42-32(40-30-15-7-2-8-16-30)44-36(46-34)50-23-11-4-12-24-50/h1-2,5-8,13-20,25-26H,3-4,9-12,21-24H2,(H2,39,41,43,45,47)(H2,40,42,44,46,
InChIKPKJFZRPKXIAHKG-UHFFFAOYSA-N
TotalMolweight668.812
Molweight668.812
MonoisotopicMass668.356036
CLogP11.592
CLogS-10.194
H Acceptors14
H Donors4
TotalSurfaceArea531.42
Relative PSA0.26679
PolarSurfaceArea156.66
Druglikeness2.9678
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.52
Fragments1
Non HAtoms50
NonCHAtoms14
Electronegative Atoms14
Rotatable Bond12
Rings Closures7
Small Rings7
Aromatic Rings5
Aromatic Atoms30
Sp3Atoms10
Symmetricatoms30
Aromatic Nitrogens6
BasicNitrogens6
StereoCon

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