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| Ligand Name: CRA-29728 |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB603 |
PubChem:
11576559
|
Synonym(s):
- schembl2054567
- (2r)-n-(1-cyanocyclopropyl)-3-morpholin-4-ylsulfonyl-2-[[(1s)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino]propanamide
- n-(1-cyanocyclopropyl)-3-(morpholin-4-sulfonyl)-2(r)-[2,2,2-trifluoro-1(s)-(4-fluorophenyl)ethylamino]propionamide
show 2 synonym(s)
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| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: Fc1ccc(cc1)[C@@H](C(F)(F)F)N[C@H](C(=O)NC2(C#N)CC2)CS(=O)(=O)N3CCOCC3 |
| Standard InChI: InChI=1S/C19H22F4N4O4S/c20-14-3-1-13(2-4-14)16(19(21,22)23)25-15(17(28)26-18(12-24)5-6-18)11-32(29,30)27-7-9-31-10-8-27/h1-4,15-16,25H,5-11H2,(H,26,28)/t15-,16-/m0/s1 |
| Molecular Formula: C19H22F4N4O4S |
Mol. Weight: 478.1298 |
logP: 1.22168 |
| HBD: 2 | HBA: 6 |
| #Rotatable Bonds: 8 | TPSA: 111.53 |