| PDB CCD ID: | FT4 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C21 H21 F N2 O4 S |
| InChI: | InChI=1S/C21H21FN2O4S/c1-23(29(27,28)16-9-6-14(22)7-10-16)15-8-11-20-18(12-15)17-4-2-3-5-19(17)24(20)13-21(25)26/h2-7,9-10,15H,8,11-13H2,1H3,(H,25,26)/t15-/m1/s1 |
| InChIKey: | CANCTKXGRVNXFP-OAHLLOKOSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | CN(C2CCc1n(c3c(c1C2)cccc3)CC(O)=O)S(c4ccc(F)cc4)(=O)=O | | CACTVS 3.385 | CN([CH]1CCc2n(CC(O)=O)c3ccccc3c2C1)[S](=O)(=O)c4ccc(F)cc4 | | OpenEye OEToolkits 2.0.6 | CN(C1CCc2c(c3ccccc3n2CC(=O)O)C1)S(=O)(=O)c4ccc(cc4)F | | OpenEye OEToolkits 2.0.6 | CN([C@@H]1CCc2c(c3ccccc3n2CC(=O)O)C1)S(=O)(=O)c4ccc(cc4)F | | CACTVS 3.385 | CN([C@@H]1CCc2n(CC(O)=O)c3ccccc3c2C1)[S](=O)(=O)c4ccc(F)cc4 |
|
| Name: | [(3R)-3-{[(4-fluorophenyl)sulfonyl](methyl)amino}-1,2,3,4-tetrahydro-9H-carbazol-9-yl]acetic acid;
CAY10471 |
| ChEMBL: | CHEMBL179036 |
| ZINC: | ZINC000013608926 |
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