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

Formula:C25H20N10O5 Mutagenic:high Tumorigenic:high Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2,3-dihydroindol-1-ylmethyl)-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]triazole-4-carboxamide is not a drug-like molecule.
MolName1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2,3-dihydroindol-1-ylmethyl)-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]triazole-4-carboxamide
MolecularFormulaC25H20N10O5
SmilesNc1nonc1-n1nnc(C(N/N=C\c2ccc(-c3cccc([N+]([O-])=O)c3)o2)=O)c1CN(CC1)c2c1cccc2
InChIInChI=1S/C25H20N10O5/c26-23-24(31-40-30-23)34-20(14-33-11-10-15-4-1-2-7-19(15)33)22(28-32-34)25(36)29-27-13-18-8-9-21(39-18)16-5-3-6-17(12-16)35(37)38/h1-9,12-13H,10-11,14H2,(H2,26,30)(H,29,36)
InChIKXIHVIGFNNMUFHY-UHFFFAOYSA-N
TotalMolweight540.499
Molweight540.499
MonoisotopicMass540.161815
CLogP3.2186
CLogS-5.08
H Acceptors15
H Donors2
TotalSurfaceArea400.16
Relative PSA0.41039
PolarSurfaceArea199.31
Druglikeness0.031244
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.5
Fragments1
Non HAtoms40
NonCHAtoms15
Electronegative Atoms15
Rotatable Bond8
Rings Closures6
Small Rings6
Aromatic Rings5
Aromatic Atoms27
Sp3Atoms5
Amines1
Aromatic Amines1
Aromatic Nitrogens5
AcidicOxygens1
StereoCon

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