| PDB CCD ID: | BXN |
| Number of entries in BioLiP: | 3 |
| Chemical formula: | C23 H33 Cl2 N5 O2 S |
| InChI: | InChI=1S/C23H33Cl2N5O2S/c1-16-22(17(2)27(3)26-16)28(4)33(31,32)23-20(24)13-18(14-21(23)25)7-5-9-29-11-12-30-10-6-8-19(30)15-29/h13-14,19H,5-12,15H2,1-4H3/t19-/m1/s1 |
| InChIKey: | IMQPHOQRHBIWQQ-LJQANCHMSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | Cn1nc(C)c(N(C)[S](=O)(=O)c2c(Cl)cc(CCCN3CCN4CCC[CH]4C3)cc2Cl)c1C | | OpenEye OEToolkits 2.0.6 | Cc1c(c(n(n1)C)C)N(C)S(=O)(=O)c2c(cc(cc2Cl)CCCN3CCN4CCCC4C3)Cl | | CACTVS 3.385 | Cn1nc(C)c(N(C)[S](=O)(=O)c2c(Cl)cc(CCCN3CCN4CCC[C@@H]4C3)cc2Cl)c1C | | OpenEye OEToolkits 2.0.6 | Cc1c(c(n(n1)C)C)N(C)S(=O)(=O)c2c(cc(cc2Cl)CCCN3CCN4CCC[C@@H]4C3)Cl |
|
| Name: | 4-[3-[(8~{a}~{R})-3,4,6,7,8,8~{a}-hexahydro-1~{H}-pyrrolo[1,2-a]pyrazin-2-yl]propyl]-2,6-bis(chloranyl)-~{N}-methyl-~{N}-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide |
| ChEMBL: | CHEMBL4532268 |
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