Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L9RV2S
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| Ligand Name |
N~4~-[1-(tert-butylsulfonyl)-2,3-dihydro-1H-indol-6-yl]-N~2~-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine
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| Synonyms |
CHEMBL4762807; N~4~-[1-(tert-butylsulfonyl)-2,3-dihydro-1H-indol-6-yl]-N~2~-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine; R6S; SCHEMBL24304354; BDBM50557395
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| Structure |
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Download2D MOL |
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| Formula |
C29H37FN6O2S
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| Canonical SMILES |
CC1=CN=C(N=C1NC2=CC3=C(CCN3S(=O)(=O)C(C)(C)C)C=C2)NC4=CC(=C(C=C4)C5CCN(CC5)C)F
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| InChI |
1S/C29H37FN6O2S/c1-19-18-31-28(33-22-8-9-24(25(30)16-22)20-10-13-35(5)14-11-20)34-27(19)32-23-7-6-21-12-15-36(26(21)17-23)39(37,38)29(2,3)4/h6-9,16-18,20H,10-15H2,1-5H3,(H2,31,32,33,34)
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| InChIKey |
CIDSGDKXNGKZIH-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
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