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

Formula:C28H24N9O3F Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2,3-dihydroindol-1-ylmethyl)-N-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]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)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]triazole-4-carboxamide
MolecularFormulaC28H24N9O3F
SmilesNc1nonc1-n1nnc(C(N/N=C\c(cc2)ccc2OCc(cc2)ccc2F)=O)c1CN(CC1)c2c1cccc2
InChIInChI=1S/C28H24FN9O3/c29-21-9-5-19(6-10-21)17-40-22-11-7-18(8-12-22)15-31-33-28(39)25-24(38(36-32-25)27-26(30)34-41-35-27)16-37-14-13-20-3-1-2-4-23(20)37/h1-12,15H,13-14,16-17H2,(H2,30,34)(H,33,39)
InChIKRNMWALKEHJVOAY-UHFFFAOYSA-N
TotalMolweight553.557
Molweight553.557
MonoisotopicMass553.198614
CLogP4.6502
CLogS-4.815
H Acceptors12
H Donors2
TotalSurfaceArea416.91
Relative PSA0.31107
PolarSurfaceArea149.58
Druglikeness1.813
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.56098
Fragments1
Non HAtoms41
NonCHAtoms13
Electronegative Atoms13
Rotatable Bond9
Rings Closures6
Small Rings6
Aromatic Rings5
Aromatic Atoms28
Sp3Atoms6
Symmetricatoms4
Amines1
Aromatic Amines1
Aromatic Nitrogens5
StereoCon

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