| PDB CCD ID: | RTR |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C20 H19 Cl N4 O3 S2 |
| InChI: | InChI=1S/C20H19ClN4O3S2/c21-16-6-5-15-9-19(29-17(15)10-16)30(27,28)25-8-7-24(18(26)12-25)11-13-1-3-14(4-2-13)20(22)23/h1-6,9-10H,7-8,11-12H2,(H3,22,23) |
| InChIKey: | VXONTEUOQXFJJS-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 10.04 | O=C2N(Cc1ccc(C(=[N@H])N)cc1)CCN(C2)S(=O)(=O)c4sc3cc(Cl)ccc3c4 | | OpenEye OEToolkits 1.5.0 | c1cc(ccc1CN2CCN(CC2=O)S(=O)(=O)c3cc4ccc(cc4s3)Cl)C(=N)N | | OpenEye OEToolkits 1.5.0 | c1cc(ccc1CN2CC[N@@](CC2=O)S(=O)(=O)c3cc4ccc(cc4s3)Cl)C(=N)N | | CACTVS 3.341 | NC(=N)c1ccc(CN2CCN(CC2=O)[S](=O)(=O)c3sc4cc(Cl)ccc4c3)cc1 |
|
| Name: | 4-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXOPIPERAZIN-1-YL}METHYL)BENZENECARBOXIMIDAMIDE |
| ChEMBL: | CHEMBL48813 |
| DrugBank: | DB08495 |
| ZINC: | ZINC000002047636 |
umich.edu