Ligand Information
Ligand General Information | Top | |||
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Ligand ID |
L7AI5X
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Ligand Name |
(2~{R})-2-[[7-but-2-ynyl-5-(3-chloranyl-2-methyl-phenyl)-6-ethyl-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid
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Synonyms |
(2~{R})-2-[[7-but-2-ynyl-5-(3-chloranyl-2-methyl-phenyl)-6-ethyl-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid; SCHEMBL22400273; U6N
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Structure |
Download2D MOL |
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Formula |
C28H27ClN4O2
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Canonical SMILES |
CCC1=C(C2=C(N=CN=C2N1CC#CC)NC(CC3=CC=CC=C3)C(=O)O)C4=C(C(=CC=C4)Cl)C
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InChI |
1S/C28H27ClN4O2/c1-4-6-15-33-23(5-2)24(20-13-10-14-21(29)18(20)3)25-26(30-17-31-27(25)33)32-22(28(34)35)16-19-11-8-7-9-12-19/h7-14,17,22H,5,15-16H2,1-3H3,(H,34,35)(H,30,31,32)/t22-/m1/s1
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InChIKey |
PMJJSYCWIFTUKH-JOCHJYFZSA-N
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PubChem Compound ID |
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