Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L5U6YO
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| Ligand Name |
1-(4-(4-(2-(Isopropylsulfonyl)phenylamino)-1H-pyrrolo[2,3-b]pyridin-6-ylamino)-3-methoxyphenyl)piperidin-4-ol
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| Synonyms |
Mps1-IN-1; 1125593-20-5; 1-(4-(4-(2-(Isopropylsulfonyl)phenylamino)-1H-pyrrolo[2,3-b]pyridin-6-ylamino)-3-methoxyphenyl)piperidin-4-ol; 1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]piperidin-4-ol; 1MPS1-IN-1; 3gfw; 1-(4-((4-((2-(isopropylsulfonyl)phenyl)amino)-1H-pyrrolo[2,3-b]pyridin-6-yl)amino)-3-methoxyphenyl)piperidin-4-ol; MLS003230944; GTPL9271; SCHEMBL4051419; CHEMBL1235786; BDBM36485; CHEBI:91379; DTXSID60649015; AVB59320; BCP27688; ZINC58661129; CS-3776; NCGC00387463-01; NCGC00387463-04; HY-13298; SMR001913509; F85109; A925638; J-503190; Q27087728; 1-[3-Methoxy-4-({4-[2-(propane-2-sulfonyl)anilino]-1H-pyrrolo[2,3-b]pyridin-6-yl}amino)phenyl]piperidin-4-ol; s22
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| Structure |
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Download2D MOL |
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| Formula |
C28H33N5O4S
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| Canonical SMILES |
CC(C)S(=O)(=O)C1=CC=CC=C1NC2=CC(=NC3=C2C=CN3)NC4=C(C=C(C=C4)N5CCC(CC5)O)OC
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| InChI |
1S/C28H33N5O4S/c1-18(2)38(35,36)26-7-5-4-6-23(26)30-24-17-27(32-28-21(24)10-13-29-28)31-22-9-8-19(16-25(22)37-3)33-14-11-20(34)12-15-33/h4-10,13,16-18,20,34H,11-12,14-15H2,1-3H3,(H3,29,30,31,32)
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| InChIKey |
NMJMRSQTDLRCRQ-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
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