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2-N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-N-(4-fluorophenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine

Formula:C28H26N7OCl2F Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-N-(4-fluorophenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine is not a drug-like molecule.
MolName2-N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-N-(4-fluorophenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
MolecularFormulaC28H26N7OCl2F
SmilesFc(cc1)ccc1Nc1nc(N/N=C\c(cccc2)c2OCc(ccc(Cl)c2)c2Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C28H26Cl2FN7O/c29-21-9-8-20(24(30)16-21)18-39-25-7-3-2-6-19(25)17-32-37-27-34-26(33-23-12-10-22(31)11-13-23)35-28(36-27)38-14-4-1-5-15-38/h2-3,6-13,16-17H,1,4-5,14-15,18H2,(H2,33,34,35,36,37)
InChIKNXJLLDBPMYOZSM-UHFFFAOYSA-N
TotalMolweight566.466
Molweight566.466
MonoisotopicMass565.15599
CLogP9.2868
CLogS-9.032
H Acceptors8
H Donors2
TotalSurfaceArea423.05
Relative PSA0.19121
PolarSurfaceArea87.56
Druglikeness1.035
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.53846
Fragments1
Non HAtoms39
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond9
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms7
Symmetricatoms4
Aromatic Nitrogens3
BasicNitrogens3
StereoCon

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