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

Formula:C28H24N9O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-5-(2,3-dihydroindol-1-ylmethyl)triazole-4-carboxamide is not a drug-like molecule.
MolName1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-5-(2,3-dihydroindol-1-ylmethyl)triazole-4-carboxamide
MolecularFormulaC28H24N9O3Cl
SmilesNc1nonc1-n1nnc(C(N/N=C\c2cccc(OCc(cccc3)c3Cl)c2)=O)c1CN(CC1)c2c1cccc2
InChIInChI=1S/C28H24ClN9O3/c29-22-10-3-1-8-20(22)17-40-21-9-5-6-18(14-21)15-31-33-28(39)25-24(38(36-32-25)27-26(30)34-41-35-27)16-37-13-12-19-7-2-4-11-23(19)37/h1-11,14-15H,12-13,16-17H2,(H2,30,34)(H,33,39)
InChIKKSWVKHHLVPDYDH-UHFFFAOYSA-N
TotalMolweight570.012
Molweight570.012
MonoisotopicMass569.169063
CLogP5.1554
CLogS-5.237
H Acceptors12
H Donors2
TotalSurfaceArea425.98
Relative PSA0.30445
PolarSurfaceArea149.58
Druglikeness3.1871
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.5122
Fragments1
Non HAtoms41
NonCHAtoms13
Electronegative Atoms13
Rotatable Bond9
Rings Closures6
Small Rings6
Aromatic Rings5
Aromatic Atoms28
Sp3Atoms6
Amines1
Aromatic Amines1
Aromatic Nitrogens5
StereoCon

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