Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L85YQM
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| Ligand Name |
(2~{s})-2-[[4-[4-Azanyl-5-(4-Phenoxyphenyl)pyrrolo[2,3-D]pyrimidin-7-Yl]cyclohexyl]amino]-~{n},4-Dimethyl-Pentanamide
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| Synonyms |
CHEMBL4085262; (2~{s})-2-[[4-[4-Azanyl-5-(4-Phenoxyphenyl)pyrrolo[2,3-D]pyrimidin-7-Yl]cyclohexyl]amino]-~{n},4-Dimethyl-Pentanamide; BDBM50268920; RK-21252; J3.509.388E; OOU
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| Structure |
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Download2D MOL |
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| Formula |
C31H38N6O2
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| Canonical SMILES |
CC(C)CC(C(=O)NC)NC1CCC(CC1)N2C=C(C3=C(N=CN=C32)N)C4=CC=C(C=C4)OC5=CC=CC=C5
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| InChI |
1S/C31H38N6O2/c1-20(2)17-27(31(38)33-3)36-22-11-13-23(14-12-22)37-18-26(28-29(32)34-19-35-30(28)37)21-9-15-25(16-10-21)39-24-7-5-4-6-8-24/h4-10,15-16,18-20,22-23,27,36H,11-14,17H2,1-3H3,(H,33,38)(H2,32,34,35)/t22?,23?,27-/m0/s1
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| InChIKey |
QWSTVNCCNITNGB-GMKWRKAISA-N
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| PubChem Compound ID | ||||
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