Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LG0L2H
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| Ligand Name |
(3~{R})-3-(4-chlorophenyl)-2-[(4-ethynylphenyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-6-(2-oxidanylpropan-2-yl)isoindol-1-one
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| Synonyms |
(3~{R})-3-(4-chlorophenyl)-2-[(4-ethynylphenyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-6-(2-oxidanylpropan-2-yl)isoindol-1-one; CHEMBL4865855; SCHEMBL20446479; BDBM427067; US10544132, Example 20; U3Z
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| Structure |
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Download2D MOL |
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| Formula |
C31H30ClNO4
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| Canonical SMILES |
CC(C)(C1=CC2=C(C=C1)C(N(C2=O)CC3=CC=C(C=C3)C#C)(C4=CC=C(C=C4)Cl)OCC5(CC5)CO)O
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| InChI |
1S/C31H30ClNO4/c1-4-21-5-7-22(8-6-21)18-33-28(35)26-17-24(29(2,3)36)11-14-27(26)31(33,23-9-12-25(32)13-10-23)37-20-30(19-34)15-16-30/h1,5-14,17,34,36H,15-16,18-20H2,2-3H3/t31-/m1/s1
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| InChIKey |
LTEBUYNLVXWZOS-WJOKGBTCSA-N
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| PubChem Compound ID | ||||
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