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

Formula:C22H21N7F4 Mutagenic:high Tumorigenic:none Reproductive Effective:none 4-N-(4-fluorophenyl)-6-piperidin-1-yl-2-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,3,5-triazine-2,4-diamine is not a drug-like molecule.

MolName	4-N-(4-fluorophenyl)-6-piperidin-1-yl-2-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,3,5-triazine-2,4-diamine
MolecularFormula	C22H21N7F4
Smiles	FC(c1c(/C=N\Nc2nc(Nc(cc3)ccc3F)nc(N3CCCCC3)n2)cccc1)(F)F
InChI	InChI=1S/C22H21F4N7/c23-16-8-10-17(11-9-16)28-19-29-20(31-21(30-19)33-12-4-1-5-13-33)32-27-14-15-6-2-3-7-18(15)22(24,25)26/h2-3,6-11,14H,1,4-5,12-13H2,(H2,28,29,30,31,32)
InChIK	NPEQJHISCIARSF-UHFFFAOYSA-N
TotalMolweight	459.45
Molweight	459.45
MonoisotopicMass	459.179455
CLogP	7.575
CLogS	-6.997
H Acceptors	7
H Donors	2
TotalSurfaceArea	338.15
Relative PSA	0.20964
PolarSurfaceArea	78.33
Druglikeness	-4.2222
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.48485
Fragments	1
Non HAtoms	33
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	6
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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

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