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

Formula:C25H23N8O3F Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-N-(4-fluorophenyl)-2-N-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine is not a drug-like molecule.

MolName	4-N-(4-fluorophenyl)-2-N-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
MolecularFormula	C25H23N8O3F
Smiles	[O-][N+](c(cccc1)c1-c1ccc(/C=N\Nc2nc(Nc(cc3)ccc3F)nc(N3CCCCC3)n2)o1)=O
InChI	InChI=1S/C25H23FN8O3/c26-17-8-10-18(11-9-17)28-23-29-24(31-25(30-23)33-14-4-1-5-15-33)32-27-16-19-12-13-22(37-19)20-6-2-3-7-21(20)34(35)36/h2-3,6-13,16H,1,4-5,14-15H2,(H2,28,29,30,31,32)
InChIK	KHZAPFKLYDGRIF-UHFFFAOYSA-N
TotalMolweight	502.509
Molweight	502.509
MonoisotopicMass	502.187715
CLogP	6.2328
CLogS	-8.139
H Acceptors	11
H Donors	2
TotalSurfaceArea	381.81
Relative PSA	0.3023
PolarSurfaceArea	137.29
Druglikeness	-2.0124
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.51351
Fragments	1
Non HAtoms	37
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	6
Symmetricatoms	4
Aromatic Nitrogens	3
BasicNitrogens	3
AcidicOxygens	1
StereoCon

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

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