PDB CCD ID: | 1EH |
Number of entries in BioLiP: | 2 |
Chemical formula: | C20 H14 Cl N3 O2 S2 |
InChI: | InChI=1S/C20H14ClN3O2S2/c21-18-8-11(6-7-23-18)10-24-20(26)16-5-4-15(27-16)12-2-1-3-14-13(12)9-17(28-14)19(22)25/h1-9H,10H2,(H2,22,25)(H,24,26) |
InChIKey: | SKAFXNGFXPGQIG-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
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CACTVS 3.370 | NC(=O)c1sc2cccc(c3sc(cc3)C(=O)NCc4ccnc(Cl)c4)c2c1 | ACDLabs 12.01 | O=C(c3sc(c2c1c(sc(C(=O)N)c1)ccc2)cc3)NCc4ccnc(Cl)c4 | OpenEye OEToolkits 1.7.6 | c1cc(c2cc(sc2c1)C(=O)N)c3ccc(s3)C(=O)NCc4ccnc(c4)Cl |
|
Name: | 4-(5-{[(2-chloropyridin-4-yl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide |
ChEMBL: | CHEMBL5074567 |
ZINC: | ZINC000095920691 |