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3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[5-chloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]-5-(morpholin-4-ylmethyl)triazole-4-carboxamide

Formula:C24H22N9O4Cl3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[5-chloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]-5-(morpholin-4-ylmethyl)triazole-4-carboxamide is not a drug-like molecule.
MolName3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[5-chloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]-5-(morpholin-4-ylmethyl)triazole-4-carboxamide
MolecularFormulaC24H22N9O4Cl3
SmilesNc1nonc1-n1nnc(CN2CCOCC2)c1C(N/N=C\c(cc(cc1)Cl)c1OCc(c(Cl)ccc1)c1Cl)=O
InChIInChI=1S/C24H22Cl3N9O4/c25-15-4-5-20(39-13-16-17(26)2-1-3-18(16)27)14(10-15)11-29-31-24(37)21-19(12-35-6-8-38-9-7-35)30-34-36(21)23-22(28)32-40-33-23/h1-5,10-11H,6-9,12-13H2,(H2,28,32)(H,31,37)
InChIKJVXWRFNRHFNFKC-UHFFFAOYSA-N
TotalMolweight606.857
Molweight606.857
MonoisotopicMass605.086032
CLogP4.5074
CLogS-4.582
H Acceptors13
H Donors2
TotalSurfaceArea434.58
Relative PSA0.32144
PolarSurfaceArea158.81
Druglikeness2.4475
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.475
Fragments1
Non HAtoms40
NonCHAtoms16
Electronegative Atoms16
Rotatable Bond9
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms22
Sp3Atoms9
Symmetricatoms5
Amines1
AlkylAmines1
Aromatic Nitrogens5
BasicNitrogens1
StereoCon

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