Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LC5WQ0
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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},~{n},4-Trimethyl-Pentanamide
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| Synonyms |
CHEMBL4103186; (2~{s})-2-[[4-[4-Azanyl-5-(4-Phenoxyphenyl)pyrrolo[2,3-D]pyrimidin-7-Yl]cyclohexyl]amino]-~{n},~{n},4-Trimethyl-Pentanamide; BDBM50268919; RK-21253; J3.509.389C; OOV
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| Structure |
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Download2D MOL |
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| Formula |
C32H40N6O2
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| Canonical SMILES |
CC(C)CC(C(=O)N(C)C)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/C32H40N6O2/c1-21(2)18-28(32(39)37(3)4)36-23-12-14-24(15-13-23)38-19-27(29-30(33)34-20-35-31(29)38)22-10-16-26(17-11-22)40-25-8-6-5-7-9-25/h5-11,16-17,19-21,23-24,28,36H,12-15,18H2,1-4H3,(H2,33,34,35)/t23?,24?,28-/m0/s1
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| InChIKey |
KOBNNQXCSZBAFN-ZWGPAORLSA-N
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| PubChem Compound ID | ||||
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