Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L4XD7E
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| Ligand Name |
(3~{a}~{S},7~{a}~{R})-1-methyl-5-[4-[[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-3,3~{a},4,6,7,7~{a}-hexahydropyrrolo[3,2-c]pyridin-2-one
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| Synonyms |
CHEMBL4102501; (3~{a}~{S},7~{a}~{R})-1-methyl-5-[4-[[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-3,3~{a},4,6,7,7~{a}-hexahydropyrrolo[3,2-c]pyridin-2-one; 6R0; SCHEMBL21106084; BDBM50246761
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| Structure |
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Download2D MOL |
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| Formula |
C25H36N6O2
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| Canonical SMILES |
CN1C2CCN(CC2CC1=O)C3CCC(CC3)NC4=NC=NC5=C4C(=CN5)C6CCOCC6
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| InChI |
1S/C25H36N6O2/c1-30-21-6-9-31(14-17(21)12-22(30)32)19-4-2-18(3-5-19)29-25-23-20(16-7-10-33-11-8-16)13-26-24(23)27-15-28-25/h13,15-19,21H,2-12,14H2,1H3,(H2,26,27,28,29)/t17-,18?,19?,21+/m0/s1
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| InChIKey |
MLNKSPKBBXWPSG-LANMQJKKSA-N
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| PubChem Compound ID | ||||
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