Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BAPB19
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| Binder Name |
(1S)-7-[(2R)-Butan-2-yl]oxy-1-(4-chlorophenyl)-2-[4-[[4-(dimethylamino)cyclohexyl]methyl-methylamino]phenyl]-6-methoxy-1,4-dihydroisoquinolin-3-one
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| Synonyms |
SCHEMBL2391671; SCHEMBL2391673; CHEMBL3601322; BDBM162023; US9051279, 73a; US9051279, 73b
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| Binder Type |
Small molecular drug
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| Structure |
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Download2D MOL |
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| Formula |
C36H46ClN3O3
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| Canonical SMILES |
CC[C@@H](C)OC1=C(C=C2CC(=O)N([C@H](C2=C1)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)N(C)CC5CCC(CC5)N(C)C)OC
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| InChI |
1S/C36H46ClN3O3/c1-7-24(2)43-34-22-32-27(20-33(34)42-6)21-35(41)40(36(32)26-10-12-28(37)13-11-26)31-18-16-30(17-19-31)39(5)23-25-8-14-29(15-9-25)38(3)4/h10-13,16-20,22,24-25,29,36H,7-9,14-15,21,23H2,1-6H3/t24-,25?,29?,36+/m1/s1
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| InChIKey |
IXFIHZIZFSCBSU-KWVFHFHSSA-N
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| PubChem Compound ID | ||||
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