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

Formula:C24H25N9O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(morpholin-4-ylmethyl)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]triazole-4-carboxamide is not a drug-like molecule.
MolName1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(morpholin-4-ylmethyl)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]triazole-4-carboxamide
MolecularFormulaC24H25N9O4
SmilesNc1nonc1-n1nnc(C(N/N=C\c2cc(OCc3ccccc3)ccc2)=O)c1CN1CCOCC1
InChIInChI=1S/C24H25N9O4/c25-22-23(30-37-29-22)33-20(15-32-9-11-35-12-10-32)21(27-31-33)24(34)28-26-14-18-7-4-8-19(13-18)36-16-17-5-2-1-3-6-17/h1-8,13-14H,9-12,15-16H2,(H2,25,29)(H,28,34)
InChIKCDQMJUVDIBWKJV-UHFFFAOYSA-N
TotalMolweight503.522
Molweight503.522
MonoisotopicMass503.202951
CLogP2.6894
CLogS-2.374
H Acceptors13
H Donors2
TotalSurfaceArea388.32
Relative PSA0.35973
PolarSurfaceArea158.81
Druglikeness2.4171
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.54054
Fragments1
Non HAtoms37
NonCHAtoms13
Electronegative Atoms13
Rotatable Bond9
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms22
Sp3Atoms9
Symmetricatoms4
Amines1
AlkylAmines1
Aromatic Nitrogens5
BasicNitrogens1
StereoCon

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