Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LD52RI
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| Ligand Name |
N-(6-Chloro-3,3-Dimethyl-3,4-Dihydroisoquinolin-1-Yl)-3-[4-(1h-Pyrazol-4-Yl)thiophen-3-Yl]-L-Alanine
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| Synonyms |
N-(6-Chloro-3,3-Dimethyl-3,4-Dihydroisoquinolin-1-Yl)-3-[4-(1h-Pyrazol-4-Yl)thiophen-3-Yl]-L-Alanine; 4i0f; Q27451877; 1BF
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| Structure |
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Download2D MOL |
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| Formula |
C21H21ClN4O2S
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| Canonical SMILES |
CC1(CC2=C(C=CC(=C2)Cl)C(=NC(CC3=CSC=C3C4=CNN=C4)C(=O)O)N1)C
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| InChI |
1S/C21H21ClN4O2S/c1-21(2)7-12-5-15(22)3-4-16(12)19(26-21)25-18(20(27)28)6-13-10-29-11-17(13)14-8-23-24-9-14/h3-5,8-11,18H,6-7H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)/t18-/m0/s1
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| InChIKey |
ASNJXTHXWLJRAC-SFHVURJKSA-N
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| PubChem Compound ID | ||||
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