Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L8M0GD
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| Ligand Name |
(R)-1-(3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)propan-1-one
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| Synonyms |
(R)-1-(3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)propan-1-one; Ibrutinib (bound form); CHEMBL3747532; SCHEMBL17951503; CS-0167142; F82875; (R)-1-(3-(4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)propan-1-one (Ibrutinib Impurity)
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| Structure |
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Download2D MOL |
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| Formula |
C25H26N6O2
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| Canonical SMILES |
CCC(=O)N1CCCC(C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N
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| InChI |
1S/C25H26N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h3-5,8-13,16,18H,2,6-7,14-15H2,1H3,(H2,26,27,28)/t18-/m1/s1
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| InChIKey |
ROGRQCNRPWIQJN-GOSISDBHSA-N
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| PubChem Compound ID | ||||
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