General Information of the Compound
| Compound ID |
CP0694113
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| Compound Name |
BRANEBRUTINIB
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| Synonyms |
(S)-4-(3-(2-BUTYNOYLAMINO)PIPERIDIN-1-YL)-5-FLUORO-2,3-DIMETHYL-1H-INDOLE-7-CARBOXAMIDE
(S)-4-(3-(but-2-ynamido)piperidin-1-yl)-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide
1912445-55-6
1H-Indole-7-carboxamide, 5-fluoro-2,3-dimethyl-4-((3S)-3-((1-oxo-2-butyn-1-yl)amino)-1-piperidinyl)-
4-((3S)-3-(2-BUTYNOYLAMINO)-1-PIPERIDINYL)-5-FLUORO-2,3-DIMETHYL-1HINDOLE-7-CARBOXAMIDE
4-((3S)-3-(2-Butynoylamino)-1-piperidinyl)-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide
4-((3S)-3-(But-2-ynamido)piperidin-1-yl)-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide
4-[(3S)-3-(but-2-ynamido)piperidin-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide
4-[(3S)-3-(but-2-ynoylamino)piperidin-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide
7LBRZUYSHU
AC-31535
AKOS037649047
BCP29496
BDBM164638
BDBM166759
BMS-986195
BMS986195
BRANEBRUTINIB [INN]
BRANEBRUTINIB [WHO-DD]
BS-16393
Branebrutinib
Branebrutinib (BMS-986195)
Branebrutinib (USAN)
Branebrutinib [USAN]
C20H23FN4O2
CHEMBL4297674
CS-0043577
D11478
DB15347
EN300-2007801
EX-A2720
Example 223 [US20160115126A1]
GTPL9869
HY-112161
MFCD31631584
NSC-807627
NSC807627
Q50825082
SCHEMBL17699728
UNII-7LBRZUYSHU
US9688629, 123
US9688629, 223
VJPPLCNBDLZIFG-ZDUSSCGKSA-N
WHO 11026
s8832
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| Structure |
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| Formula |
C20H23FN4O2
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| Molecular Weight |
370.428
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| Canonical SMILES |
CC#CC(=O)N[C@H]1CCCN(c2c(F)cc(C(N)=O)c3[nH]c(C)c(C)c23)C1
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| InChI |
InChI=1S/C20H23FN4O2/c1-4-6-16(26)24-13-7-5-8-25(10-13)19-15(21)9-14(20(22)27)18-17(19)11(2)12(3)23-18/h9,13,23H,5,7-8,10H2,1-3H3,(H2,22,27)(H,24,26)/t13-/m0/s1
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| InChIKey |
VJPPLCNBDLZIFG-ZDUSSCGKSA-N
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| CAS |
1912445-55-6
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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: PT01308, Tyrosine-protein kinase BTK
Clinical Information about the Compound