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| Ligand Name: (2S,4R)-1-[1-(4-bromophenyl)cyclopropanecarbonyl]-4-(2-chlorobenzenesulfonyl)-N-(1-cyanocyclopropyl)pyrrolidine-2-carboxamide |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1486 |
PubChem:
51031462
|
Synonym(s):
- chembl2335180
- schembl697733
- bdbm50428487
- (2s,4r)-1-[1-(4-bromophenyl)cyclopropanecarbonyl]-4-(2-chlorophenyl)sulfonyl-n-(1-cyanocyclopropyl)pyrrolidine-2-carboxamide
show 3 synonym(s)
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| DrugBank: - |
ChEMBL: CHEMBL2335180 |
| Canonical SMILES: Clc1ccccc1S(=O)(=O)[C@@H]2C[C@@H](C(=O)NC3(C#N)CC3)N(C2)C(=O)C4(CC4)c5ccc(Br)cc5 |
| Standard InChI: InChI=1S/C25H23BrClN3O4S/c26-17-7-5-16(6-8-17)25(11-12-25)23(32)30-14-18(35(33,34)21-4-2-1-3-19(21)27)13-20(30)22(31)29-24(15-28)9-10-24/h1-8,18,20H,9-14H2,(H,29,31)/t18-,20+/m1/s1 |
| Molecular Formula: C25H23BrClN3O4S |
Mol. Weight: 575.02814 |
logP: 3.74988 |
| HBD: 1 | HBA: 5 |
| #Rotatable Bonds: 6 | TPSA: 107.34 |