Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
LF2O9W
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| Ligand Name |
2-[[2-chloro-3-(2-methylpyridin-3-yl)-1-benzothiophen-5-yl]carbamoylamino]-N-[3-[methyl-[(3R)-1-(5H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]amino]propyl]acetamide
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| Structure |
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Download2D MOL |
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| Formula |
C32H36ClN9O2S
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| Canonical SMILES |
CC1=C(C=CC=N1)C2=C(SC3=C2C=C(C=C3)NC(=O)NCC(=O)NCCCN(C)C4CCCN(C4)C5=NC=NC6=C5CC=N6)Cl
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| InChI |
1S/C32H36ClN9O2S/c1-20-23(7-3-11-34-20)28-25-16-21(8-9-26(25)45-29(28)33)40-32(44)37-17-27(43)35-12-5-14-41(2)22-6-4-15-42(18-22)31-24-10-13-36-30(24)38-19-39-31/h3,7-9,11,13,16,19,22H,4-6,10,12,14-15,17-18H2,1-2H3,(H,35,43)(H2,37,40,44)/t22-/m1/s1
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| InChIKey |
BUHUWDQAOUQQHQ-JOCHJYFZSA-N
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| PubChem Compound ID | ||||
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