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

Formula:C29H25N7O4 Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-[5-[(Z)-[[4-morpholin-4-yl-6-(naphthalen-1-ylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]furan-2-yl]benzoic acid is not a drug-like molecule.

MolName	4-[5-[(Z)-[[4-morpholin-4-yl-6-(naphthalen-1-ylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
MolecularFormula	C29H25N7O4
Smiles	OC(c(cc1)ccc1-c1ccc(/C=N\Nc2nc(N3CCOCC3)nc(Nc3cccc4ccccc34)n2)o1)=O
InChI	InChI=1S/C29H25N7O4/c37-26(38)21-10-8-20(9-11-21)25-13-12-22(40-25)18-30-35-28-32-27(33-29(34-28)36-14-16-39-17-15-36)31-24-7-3-5-19-4-1-2-6-23(19)24/h1-13,18H,14-17H2,(H,37,38)(H2,31,32,33,34,35)
InChIK	SRZIORJISFEUNM-UHFFFAOYSA-N
TotalMolweight	535.563
Molweight	535.563
MonoisotopicMass	535.196803
CLogP	6.5691
CLogS	-8.095
H Acceptors	11
H Donors	3
TotalSurfaceArea	406.73
Relative PSA	0.29784
PolarSurfaceArea	138
Druglikeness	5.1873
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.525
Fragments	1
Non HAtoms	40
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	6
Symmetricatoms	4
Aromatic Nitrogens	3
BasicNitrogens	3
AcidicOxygens	1
StereoCon

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1 - 4-[5-[(Z)-[[4-morpholin-4-yl-6-(naphthalen-1-ylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]furan-2-yl]benzoic acid | 2 - 4-[5-[(Z)-[[4-morpholin-4-yl-6-(naphthalen-1-ylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]furan-2-yl]benzoic acid

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