1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[(4-fluorophenyl)-(4-piperidin-1-ylphenyl)methylidene]amino]-5-phenyltriazole-4-carboxamide

Formula:C29H26N9O2F Mutagenic:high Tumorigenic:low Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[(4-fluorophenyl)-(4-piperidin-1-ylphenyl)methylidene]amino]-5-phenyltriazole-4-carboxamide is not a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[(4-fluorophenyl)-(4-piperidin-1-ylphenyl)methylidene]amino]-5-phenyltriazole-4-carboxamide
MolecularFormula	C29H26N9O2F
Smiles	Nc1nonc1-n1nnc(C(N/N=C(/c(cc2)ccc2N2CCCCC2)\c(cc2)ccc2F)=O)c1-c1ccccc1
InChI	InChI=1S/C29H26FN9O2/c30-22-13-9-19(10-14-22)24(20-11-15-23(16-12-20)38-17-5-2-6-18-38)32-34-29(40)25-26(21-7-3-1-4-8-21)39(37-33-25)28-27(31)35-41-36-28/h1,3-4,7-16H,2,5-6,17-18H2,(H2,31,35)(H,34,40)
InChIK	DLIURCAJVIWDSZ-UHFFFAOYSA-N
TotalMolweight	551.584
Molweight	551.584
MonoisotopicMass	551.219349
CLogP	5.5761
CLogS	-6.288
H Acceptors	11
H Donors	2
TotalSurfaceArea	418.88
Relative PSA	0.28574
PolarSurfaceArea	140.35
Druglikeness	-0.75784
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone
Shape Index	0.43902
Fragments	1
Non HAtoms	41
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	7
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	28
Sp3Atoms	5
Symmetricatoms	8
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	5
StereoCon

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1 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[(4-fluorophenyl)-(4-piperidin-1-ylphenyl)methylidene]amino]-5-phenyltriazole-4-carboxamide | 2 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[(4-fluorophenyl)-(4-piperidin-1-ylphenyl)methylidene]amino]-5-phenyltriazole-4-carboxamide

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