Binder Information
Binder General Information | Top | |||
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Binder ID |
BJ5BD8
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Binder Name |
6-[[3-(3-Bromo-2-propan-2-yloxyphenyl)phenyl]methylamino]-9-(3-hydroxypropyl)purine-2-carbonitrile
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Synonyms |
CHEMBL497620; BDBM50268620; 6-((3''-bromo-2''-isopropoxybiphenyl-3-yl)methylamino)-9-(3-hydroxypropyl)-9H-purine-2-carbonitrile
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Binder Type |
Small molecular drug
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Structure |
Download2D MOL |
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Formula |
C25H25BrN6O2
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Canonical SMILES |
CC(C)OC1=C(C=CC=C1Br)C2=CC=CC(=C2)CNC3=C4C(=NC(=N3)C#N)N(C=N4)CCCO
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InChI |
1S/C25H25BrN6O2/c1-16(2)34-23-19(8-4-9-20(23)26)18-7-3-6-17(12-18)14-28-24-22-25(31-21(13-27)30-24)32(15-29-22)10-5-11-33/h3-4,6-9,12,15-16,33H,5,10-11,14H2,1-2H3,(H,28,30,31)
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InChIKey |
YCSYUPWXKQVTEC-UHFFFAOYSA-N
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PubChem Compound ID |
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