PDB CCD ID: | VXI |
Number of entries in BioLiP: | 4 |
Chemical formula: | C28 H38 N2 O5 |
InChI: | InChI=1S/C28H38N2O5/c1-32-24-8-7-20(14-25(24)33-2)9-12-29-11-5-6-21(18-29)19-30-13-10-22-15-26(34-3)27(35-4)16-23(22)17-28(30)31/h7-8,14-16,21H,5-6,9-13,17-19H2,1-4H3/t21-/m0/s1 |
InChIKey: | OBUFMJDDZTXJPY-NRFANRHFSA-N |
SMILES: | Software | SMILES |
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CACTVS 3.385 | COc1ccc(CCN2CCC[CH](C2)CN3CCc4cc(OC)c(OC)cc4CC3=O)cc1OC | CACTVS 3.385 | COc1ccc(CCN2CCC[C@@H](C2)CN3CCc4cc(OC)c(OC)cc4CC3=O)cc1OC | OpenEye OEToolkits 2.0.7 | COc1ccc(cc1OC)CCN2CCCC(C2)CN3CCc4cc(c(cc4CC3=O)OC)OC | OpenEye OEToolkits 2.0.7 | COc1ccc(cc1OC)CCN2CCC[C@@H](C2)CN3CCc4cc(c(cc4CC3=O)OC)OC |
|
Name: | 3-[[(3~{S})-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-3-yl]methyl]-7,8-dimethoxy-2,5-dihydro-1~{H}-3-benzazepin-4-one; Cilobradine |