General Information of the Compound
| Compound ID |
CP0097627
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| Compound Name |
(E)-2-[(3R)-3-[4-amino-3-(2-fluoro-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]-4,4-dimethylpent-2-enenitrile
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| Synonyms |
(2E)-2-[(3R)-3-[4-amino-3-(2-fluoro-4-phenoxyphenyl-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]-4,4-dimethylpent-2-enenitrile
(E)-2-[(3R)-3-[4-amino-3-(2-fluoro-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]-4,4-dimethylpent-2-enenitrile
(alphaE,3R)-3-(4-amino-3-(2-fluoro-4-phenoxyphenyl)-1hpyrazolo(3,4-d)pyrimidin-1-yl)-alpha-(2,2-dimethylpropylidene)-beta-oxo-1-piperidinepropanenitrile
(alphaE,3R)-3-[4-Amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-alpha-(2,2-dimethylpropylidene)-beta-oxo-1-piperidinepropanenitrile
1-Piperidinepropanenitrile, 3-(4-amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo(3,4-d)pyrimidin-1-yl)-alpha-(2,2-dimethylpropylidene)-beta-oxo-, (alphaE,3R)-
1-Piperidinepropanenitrile, 3-[4-amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-alpha-(2,2-dimethylpropylidene)-beta-oxo-, (alphaE,3R)-
1581714-49-9
AKOS040756908
ATUZABRUTINIB [USAN]
Atuzabrutinib [INN]
BDBM197260
BDBM50589191
CHEMBL4114766
CS-0204055
GTPL11666
HY-132808
PRN-473
PRN473
SAR 444727
SAR-444727
SAR444727
SCHEMBL15515897
SCHEMBL15516108
UNII-YZ68ZB8LWA
US9090621, 125A
YZ68ZB8LWA
atuzabrutinib
compound 11 [PMID: 35302767]
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| Structure |
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| Formula |
C30H30FN7O2
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| Molecular Weight |
539.615
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| Canonical SMILES |
CC(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
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| InChI |
InChI=1S/C30H30FN7O2/c1-30(2,3)15-19(16-32)29(39)37-13-7-8-20(17-37)38-28-25(27(33)34-18-35-28)26(36-38)23-12-11-22(14-24(23)31)40-21-9-5-4-6-10-21/h4-6,9-12,14-15,18,20H,7-8,13,17H2,1-3H3,(H2,33,34,35)/b19-15+/t20-/m1/s1
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| InChIKey |
KZMQPYCXSAGLTB-ZWUNQBBJSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Clinical Information about the Compound