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J78

Summary
Name:(METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE
Synonyms:R78206
Formula:C22 H29 N3 O3
Formal charge:0
Formula weight:383.484 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04ethyl 4-{3-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]propoxy}benzoate
OpenEye OEToolkits1.5.0ethyl 4-[3-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]propoxy]benzoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(OCC)c3ccc(OCCCC2CCN(c1nnc(cc1)C)CC2)cc3
SMILES_CANONICALCACTVS3.341CCOC(=O)c1ccc(OCCCC2CCN(CC2)c3ccc(C)nn3)cc1
SMILESCACTVS3.341CCOC(=O)c1ccc(OCCCC2CCN(CC2)c3ccc(C)nn3)cc1
SMILES_CANONICALOpenEye OEToolkits1.5.0CCOC(=O)c1ccc(cc1)OCCCC2CCN(CC2)c3ccc(nn3)C
SMILESOpenEye OEToolkits1.5.0CCOC(=O)c1ccc(cc1)OCCCC2CCN(CC2)c3ccc(nn3)C
InChIInChI1.03InChI=1S/C22H29N3O3/c1-3-27-22(26)19-7-9-20(10-8-19)28-16-4-5-18-12-14-25(15-13-18)21-11-6-17(2)23-24-21/h6-11,18H,3-5,12-16H2,1-2H3
InChIKeyInChI1.03UEIUDEUUVLYRFV-UHFFFAOYSA-N

217705

PDB entries from 2024-03-27

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