Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L5CT1N
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| Ligand Name |
N-[(1S,2R)-1-Benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-4-ethyl-8-(2-oxopyrrolidin-1-YL)quinoline-6-carboxamide
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| Synonyms |
N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[3-(TRIFLUOROMETHYL)BENZYL]AMINO}PROPYL]-4-ETHYL-8-(2-OXOPYRROLIDIN-1-YL)QUINOLINE-6-CARBOXAMIDE; CHEMBL501958; BDBM29768; hydroxyethylamine derivative, 22; 2WF-0; Q27468094
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| Structure |
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Download2D MOL |
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| Formula |
C34H35F3N4O3
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| Canonical SMILES |
CCC1=C2C=C(C=C(C2=NC=C1)N3CCCC3=O)C(=O)NC(CC4=CC=CC=C4)C(CNCC5=CC(=CC=C5)C(F)(F)F)O
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| InChI |
1S/C34H35F3N4O3/c1-2-24-13-14-39-32-27(24)18-25(19-29(32)41-15-7-12-31(41)43)33(44)40-28(17-22-8-4-3-5-9-22)30(42)21-38-20-23-10-6-11-26(16-23)34(35,36)37/h3-6,8-11,13-14,16,18-19,28,30,38,42H,2,7,12,15,17,20-21H2,1H3,(H,40,44)/t28-,30+/m0/s1
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| InChIKey |
YDNCUOPJVVQEMT-MFMCTBQISA-N
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| PubChem Compound ID | ||||
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