Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L4JKA2
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| Ligand Name |
Ethyl (2~{s})-2-[[4-[4-Azanyl-5-(4-Phenoxyphenyl)pyrrolo[2,3-D]pyrimidin-7-Yl]cyclohexyl]amino]-4-Methyl-Pentanoate
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| Synonyms |
CHEMBL4073943; Ethyl (2~{s})-2-[[4-[4-Azanyl-5-(4-Phenoxyphenyl)pyrrolo[2,3-D]pyrimidin-7-Yl]cyclohexyl]amino]-4-Methyl-Pentanoate; BDBM50268913; RK-21058; J3.509.385K; OOO
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| Structure |
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Download2D MOL |
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| Formula |
C32H39N5O3
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| Canonical SMILES |
CCOC(=O)C(CC(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/C32H39N5O3/c1-4-39-32(38)28(18-21(2)3)36-23-12-14-24(15-13-23)37-19-27(29-30(33)34-20-35-31(29)37)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,4,12-15,18H2,1-3H3,(H2,33,34,35)/t23?,24?,28-/m0/s1
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| InChIKey |
YPZOCKHNHHMXDI-ZWGPAORLSA-N
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| PubChem Compound ID | ||||
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