Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
LHN3P8
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| Ligand Name |
1-[(3R)-3-[4-amino-3-[1-(5-bromo-2-hydroxyphenyl)triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one
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| Structure |
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Download2D MOL |
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| Formula |
C21H22BrN9O2
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| Canonical SMILES |
CCC(=O)N1CCCC(C1)N2C3=NC=NC(=C3C(=N2)C4=CN(N=N4)C5=C(C=CC(=C5)Br)O)N
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| InChI |
1S/C21H22BrN9O2/c1-2-17(33)29-7-3-4-13(9-29)31-21-18(20(23)24-11-25-21)19(27-31)14-10-30(28-26-14)15-8-12(22)5-6-16(15)32/h5-6,8,10-11,13,32H,2-4,7,9H2,1H3,(H2,23,24,25)/t13-/m1/s1
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| InChIKey |
ZXTJFMIWRHTIKC-CYBMUJFWSA-N
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| PubChem Compound ID | ||||
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