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

Formula:C28H27N7OCl2 Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-N-[(Z)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-N-phenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine is not a drug-like molecule.

MolName	2-N-[(Z)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-N-phenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
MolecularFormula	C28H27N7OCl2
Smiles	Clc1cc(Cl)c(COc2cc(/C=N\Nc3nc(N4CCCCC4)nc(Nc4ccccc4)n3)ccc2)cc1
InChI	InChI=1S/C28H27Cl2N7O/c29-22-13-12-21(25(30)17-22)19-38-24-11-7-8-20(16-24)18-31-36-27-33-26(32-23-9-3-1-4-10-23)34-28(35-27)37-14-5-2-6-15-37/h1,3-4,7-13,16-18H,2,5-6,14-15,19H2,(H2,32,33,34,35,36)
InChIK	WUDFVVMIMIYDQH-UHFFFAOYSA-N
TotalMolweight	548.476
Molweight	548.476
MonoisotopicMass	547.165412
CLogP	9.186
CLogS	-8.718
H Acceptors	8
H Donors	2
TotalSurfaceArea	416.7
Relative PSA	0.19412
PolarSurfaceArea	87.56
Druglikeness	2.375
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.55263
Fragments	1
Non HAtoms	38
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	9
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	7
Symmetricatoms	4
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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

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