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1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-benzylpiperidin-1-yl)methyl]-N-[(Z)-thiophen-2-ylmethylideneamino]triazole-4-carboxamide

Formula:C23H25N9O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-benzylpiperidin-1-yl)methyl]-N-[(Z)-thiophen-2-ylmethylideneamino]triazole-4-carboxamide is not a drug-like molecule.
MolName1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-benzylpiperidin-1-yl)methyl]-N-[(Z)-thiophen-2-ylmethylideneamino]triazole-4-carboxamide
MolecularFormulaC23H25N9O2S
SmilesNc1nonc1-n1nnc(C(N/N=C\c2cccs2)=O)c1CN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H25N9O2S/c24-21-22(29-34-28-21)32-19(20(26-30-32)23(33)27-25-14-18-7-4-12-35-18)15-31-10-8-17(9-11-31)13-16-5-2-1-3-6-16/h1-7,12,14,17H,8-11,13,15H2,(H2,24,28)(H,27,33)
InChIKPABNBWOOZFNCJF-UHFFFAOYSA-N
TotalMolweight491.579
Molweight491.579
MonoisotopicMass491.185191
CLogP4.0831
CLogS-3.227
H Acceptors11
H Donors2
TotalSurfaceArea376.76
Relative PSA0.37172
PolarSurfaceArea168.59
Druglikeness6.5714
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.54286
Fragments1
Non HAtoms35
NonCHAtoms12
Electronegative Atoms12
Rotatable Bond8
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms21
Sp3Atoms8
Symmetricatoms4
Amines1
AlkylAmines1
Aromatic Nitrogens5
BasicNitrogens1
StereoCon

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