General Information of the Compound
| Compound ID |
CP0060760
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| Compound Name |
US9447106, 27b (peak 2)
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| Synonyms |
AG9MHG098Z
BGB 311
BGB-3111
BGB3111
Brukinsa
Brukinsa (TN)
D11422
UNII-AG9MHG098Z
Zanubrutinib
Zanubrutinib (USAN/INN)
Zanubrutinib [INN]
Zanubrutinib [USAN:INN]
Zanubrutinib [USAN]
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| Structure |
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| Formula |
C27H29N5O3
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| Molecular Weight |
471.561
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| Canonical SMILES |
NC(=O)c1c2NCC[C@@H](C3CCN(CC3)C(=O)C=C)n2nc1-c1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C27H29N5O3/c1-2-23(33)31-16-13-18(14-17-31)22-12-15-29-27-24(26(28)34)25(30-32(22)27)19-8-10-21(11-9-19)35-20-6-4-3-5-7-20/h2-11,18,22,29H,1,12-17H2,(H2,28,34)/t22-/m0/s1
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| InChIKey |
RNOAOAWBMHREKO-QFIPXVFZSA-N
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| CAS |
1691249-45-2
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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
Protein ID: PT01669, Cytoplasmic tyrosine-protein kinase BMX
Protein ID: PT00922, Epidermal growth factor receptor
Protein ID: PT01308, Tyrosine-protein kinase BTK
Protein ID: PT01314, Tyrosine-protein kinase ITK/TSK
Protein ID: PT01660, Tyrosine-protein kinase Tec
Clinical Information about the Compound