Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L3M1RF
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| Ligand Name |
(2~{s})-1-(3,4-Dihydro-1~{h}-Isoquinolin-2-Yl)-3-[[4-(3-Methylbenzimidazol-5-Yl)pyridin-2-Yl]amino]propan-2-Ol
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| Synonyms |
(2~{s})-1-(3,4-Dihydro-1~{h}-Isoquinolin-2-Yl)-3-[[4-(3-Methylbenzimidazol-5-Yl)pyridin-2-Yl]amino]propan-2-Ol; CHEMBL3891092; SCHEMBL15943898; BDBM343981; US9777008, Compound 275; Q27455955; 5QJ
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| Structure |
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Download2D MOL |
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| Formula |
C25H27N5O
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| Canonical SMILES |
CN1C=NC2=C1C=C(C=C2)C3=CC(=NC=C3)NCC(CN4CCC5=CC=CC=C5C4)O
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| InChI |
1S/C25H27N5O/c1-29-17-28-23-7-6-19(12-24(23)29)20-8-10-26-25(13-20)27-14-22(31)16-30-11-9-18-4-2-3-5-21(18)15-30/h2-8,10,12-13,17,22,31H,9,11,14-16H2,1H3,(H,26,27)/t22-/m0/s1
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| InChIKey |
PNOIRPBZBNYURC-QFIPXVFZSA-N
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| PubChem Compound ID | ||||
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