2-[5-[(Z)-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]furan-2-yl]benzoic acid

Formula:C26H25N7O3 Mutagenic:high Tumorigenic:high Reproductive Effective:high 2-[5-[(Z)-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]furan-2-yl]benzoic acid is not a drug-like molecule.

MolName	2-[5-[(Z)-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
MolecularFormula	C26H25N7O3
Smiles	OC(c(cccc1)c1-c1ccc(/C=N\Nc2nc(N3CCCCC3)nc(Nc3ccccc3)n2)o1)=O
InChI	InChI=1S/C26H25N7O3/c34-23(35)21-12-6-5-11-20(21)22-14-13-19(36-22)17-27-32-25-29-24(28-18-9-3-1-4-10-18)30-26(31-25)33-15-7-2-8-16-33/h1,3-6,9-14,17H,2,7-8,15-16H2,(H,34,35)(H2,28,29,30,31,32)
InChIK	JUOXPPBBZBBDPF-UHFFFAOYSA-N
TotalMolweight	483.531
Molweight	483.531
MonoisotopicMass	483.201888
CLogP	6.5387
CLogS	-7.378
H Acceptors	10
H Donors	3
TotalSurfaceArea	375.89
Relative PSA	0.29567
PolarSurfaceArea	128.77
Druglikeness	4.2755
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.5
Fragments	1
Non HAtoms	36
NonCHAtoms	10
Electronegative Atoms	10
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 - 2-[5-[(Z)-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]furan-2-yl]benzoic acid | 2 - 2-[5-[(Z)-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]furan-2-yl]benzoic acid

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