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

Formula:C28H23N9O3Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[3-[(2,4-dichlorophenyl)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-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-5-(2,3-dihydroindol-1-ylmethyl)triazole-4-carboxamide
MolecularFormulaC28H23N9O3Cl2
SmilesNc1nonc1-n1nnc(C(N/N=C\c2cccc(OCc(ccc(Cl)c3)c3Cl)c2)=O)c1CN(CC1)c2c1cccc2
InChIInChI=1S/C28H23Cl2N9O3/c29-20-9-8-19(22(30)13-20)16-41-21-6-3-4-17(12-21)14-32-34-28(40)25-24(39(37-33-25)27-26(31)35-42-36-27)15-38-11-10-18-5-1-2-7-23(18)38/h1-9,12-14H,10-11,15-16H2,(H2,31,35)(H,34,40)
InChIKDAAXHFAKKPAJET-UHFFFAOYSA-N
TotalMolweight604.457
Molweight604.457
MonoisotopicMass603.13009
CLogP5.7614
CLogS-5.973
H Acceptors12
H Donors2
TotalSurfaceArea441.4
Relative PSA0.29382
PolarSurfaceArea149.58
Druglikeness3.1871
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.52381
Fragments1
Non HAtoms42
NonCHAtoms14
Electronegative Atoms14
Rotatable Bond9
Rings Closures6
Small Rings6
Aromatic Rings5
Aromatic Atoms28
Sp3Atoms6
Amines1
Aromatic Amines1
Aromatic Nitrogens5
StereoCon

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