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

Formula:C25H22N7OCl2F Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-4-N-(4-fluorophenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine is not a drug-like molecule.

MolName	2-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-4-N-(4-fluorophenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
MolecularFormula	C25H22N7OCl2F
Smiles	Fc(cc1)ccc1Nc1nc(N/N=C\c2ccc(-c3cccc(Cl)c3Cl)o2)nc(N2CCCCC2)n1
InChI	InChI=1S/C25H22Cl2FN7O/c26-20-6-4-5-19(22(20)27)21-12-11-18(36-21)15-29-34-24-31-23(30-17-9-7-16(28)8-10-17)32-25(33-24)35-13-2-1-3-14-35/h4-12,15H,1-3,13-14H2,(H2,30,31,32,33,34)
InChIK	ZINQLDZGOCTMCB-UHFFFAOYSA-N
TotalMolweight	526.402
Molweight	526.402
MonoisotopicMass	525.12469
CLogP	8.8776
CLogS	-9.151
H Acceptors	8
H Donors	2
TotalSurfaceArea	388.98
Relative PSA	0.21852
PolarSurfaceArea	91.47
Druglikeness	3.1061
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.52778
Fragments	1
Non HAtoms	36
NonCHAtoms	11
Electronegative Atoms	11
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-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-4-N-(4-fluorophenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine | 2 - 2-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-4-N-(4-fluorophenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine

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