Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LLIE96
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| Ligand Name |
6-Ethyl-5-{3-[3-(Isoquinolin-5-Yl)-5-Methoxyphenyl]prop-1-Yn-1-Yl}pyrimidine-2,4-Diamine
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| Synonyms |
CHEMBL2335420; 6-Ethyl-5-{3-[3-(Isoquinolin-5-Yl)-5-Methoxyphenyl]prop-1-Yn-1-Yl}pyrimidine-2,4-Diamine; BDBM50429696; Q27452364; 1R0
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| Structure |
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Download2D MOL |
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| Formula |
C25H23N5O
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| Canonical SMILES |
CCC1=C(C(=NC(=N1)N)N)C#CCC2=CC(=CC(=C2)OC)C3=CC=CC4=C3C=CN=C4
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| InChI |
1S/C25H23N5O/c1-3-23-22(24(26)30-25(27)29-23)9-4-6-16-12-18(14-19(13-16)31-2)20-8-5-7-17-15-28-11-10-21(17)20/h5,7-8,10-15H,3,6H2,1-2H3,(H4,26,27,29,30)
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| InChIKey |
IZQBFFXMDOOSIE-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
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