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

Formula:C25H23N7OCl2 Mutagenic:high Tumorigenic:high Reproductive Effective:high 2-N-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]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)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-4-N-phenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
MolecularFormula	C25H23N7OCl2
Smiles	Clc(cc1)cc(-c2ccc(/C=N\Nc3nc(N4CCCCC4)nc(Nc4ccccc4)n3)o2)c1Cl
InChI	InChI=1S/C25H23Cl2N7O/c26-17-9-11-21(27)20(15-17)22-12-10-19(35-22)16-28-33-24-30-23(29-18-7-3-1-4-8-18)31-25(32-24)34-13-5-2-6-14-34/h1,3-4,7-12,15-16H,2,5-6,13-14H2,(H2,29,30,31,32,33)
InChIK	PITNATSLHSMLLJ-UHFFFAOYSA-N
TotalMolweight	508.412
Molweight	508.412
MonoisotopicMass	507.134112
CLogP	8.7768
CLogS	-8.837
H Acceptors	8
H Donors	2
TotalSurfaceArea	382.63
Relative PSA	0.22215
PolarSurfaceArea	91.47
Druglikeness	4.4461
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.51429
Fragments	1
Non HAtoms	35
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	5
Symmetricatoms	4
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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

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