| PDB CCD ID: | A1H3T |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C29 H27 N3 O4 |
| InChI: | InChI=1S/C29H27N3O4/c33-29(34)23-5-1-20(2-6-23)16-31-18-25-15-24(31)19-32(25)17-21-3-9-26(10-4-21)36-27-11-7-22(8-12-27)28-30-13-14-35-28/h1-14,24-25H,15-19H2,(H,33,34)/t24-,25-/m0/s1 |
| InChIKey: | GERJIEKMNDGSCS-DQEYMECFSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | OC(=O)c1ccc(CN2C[CH]3C[CH]2CN3Cc4ccc(Oc5ccc(cc5)c6occn6)cc4)cc1 | | OpenEye OEToolkits 2.0.7 | c1cc(ccc1CN2C[C@@H]3C[C@H]2CN3Cc4ccc(cc4)Oc5ccc(cc5)c6ncco6)C(=O)O | | CACTVS 3.385 | OC(=O)c1ccc(CN2C[C@@H]3C[C@H]2CN3Cc4ccc(Oc5ccc(cc5)c6occn6)cc4)cc1 | | OpenEye OEToolkits 2.0.7 | c1cc(ccc1CN2CC3CC2CN3Cc4ccc(cc4)Oc5ccc(cc5)c6ncco6)C(=O)O |
|
| Name: | 4-[[(1~{S},4~{S})-5-[[4-[4-(1,3-oxazol-2-yl)phenoxy]phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid;
CTX-4430 |
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