PDB CCD ID: | J77 |
Number of entries in BioLiP: | 2 |
Chemical formula: | C21 H27 N3 O3 |
InChI: | InChI=1S/C21H27N3O3/c1-3-26-21(25)18-5-7-19(8-6-18)27-15-12-17-10-13-24(14-11-17)20-9-4-16(2)22-23-20/h4-9,17H,3,10-15H2,1-2H3 |
InChIKey: | KCHIOGFOPPOUJC-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
---|
OpenEye OEToolkits 1.5.0 | CCOC(=O)c1ccc(cc1)OCCC2CCN(CC2)c3ccc(nn3)C | ACDLabs 10.04 | O=C(OCC)c3ccc(OCCC2CCN(c1nnc(cc1)C)CC2)cc3 | CACTVS 3.341 | CCOC(=O)c1ccc(OCCC2CCN(CC2)c3ccc(C)nn3)cc1 |
|
Name: | (METHYLPYRIDAZINE PIPERIDINE ETHYLOXYPHENYL)ETHYLACETATE; R77975 |
ChEMBL: | CHEMBL298019 |
DrugBank: | DB08012 |
ZINC: | ZINC000000538202 |