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1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-5-(morpholin-4-ium-4-ylmethyl)triazole-4-carboxamide

Formula:C24H25N9O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-5-(morpholin-4-ium-4-ylmethyl)triazole-4-carboxamide is not a drug-like molecule.
MolName1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-5-(morpholin-4-ium-4-ylmethyl)triazole-4-carboxamide
MolecularFormulaC24H25N9O4Cl
SmilesNc1nonc1-n1nnc(C(N/N=C\c(cc2)ccc2OCc(cc2)ccc2Cl)=O)c1C[NH+]1CCOCC1
InChIInChI=1S/C24H24ClN9O4/c25-18-5-1-17(2-6-18)15-37-19-7-3-16(4-8-19)13-27-29-24(35)21-20(14-33-9-11-36-12-10-33)34(32-28-21)23-22(26)30-38-31-23/h1-8,13H,9-12,14-15H2,(H2,26,30)(H,29,35)/p+1
InChIKIMZBKORZLGXKCO-UHFFFAOYSA-O
TotalMolweight538.975
Molweight538.975
MonoisotopicMass538.171803
CLogP1.1857
CLogS-3.11
H Acceptors13
H Donors3
TotalSurfaceArea417.78
Relative PSA0.36797
PolarSurfaceArea160.01
Druglikeness-0.07538
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.57895
Fragments1
Non HAtoms38
NonCHAtoms14
Electronegative Atoms14
Rotatable Bond9
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms22
Sp3Atoms9
Symmetricatoms6
Amines1
AlkylAmines1
Aromatic Nitrogens5
BasicNitrogens1
StereoCon

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