Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L69CFE
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| Ligand Name |
WT IDH1 Inhibitor 2
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| Synonyms |
WT IDH1 Inhibitor 2; CHEMBL4515358; (7R)-1-[(4-fluorophenyl)methyl]-N-{3-[(1R)-1-hydroxyethyl]phenyl}-7-methyl-5-(1H-pyrrole-2-carbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide; (R,R)-GSK321; BDBM50506585; HY-128888; CS-0101883; F82444; 1816272-19-1; DWM
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| Structure |
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Download2D MOL |
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| Formula |
C28H28FN5O3
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| Canonical SMILES |
CC1CN(CC2=C1N(N=C2C(=O)NC3=CC=CC(=C3)C(C)O)CC4=CC=C(C=C4)F)C(=O)C5=CC=CN5
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| InChI |
1S/C28H28FN5O3/c1-17-14-33(28(37)24-7-4-12-30-24)16-23-25(27(36)31-22-6-3-5-20(13-22)18(2)35)32-34(26(17)23)15-19-8-10-21(29)11-9-19/h3-13,17-18,30,35H,14-16H2,1-2H3,(H,31,36)/t17-,18-/m1/s1
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| InChIKey |
IVFDDVKCCBDPQZ-QZTJIDSGSA-N
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| PubChem Compound ID | ||||
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