General Information of the Compound
| Compound ID |
CP0234676
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| Compound Name |
1-(4-(((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl)amino)methyl)piperidin-1-yl)prop-2-en-1-one
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| Synonyms |
1-(4-(((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl)amino)methyl)piperidin-1-yl)prop-2-en-1-one
1-(4-((6-Amin
1-[4-[[[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino]methyl]piperidin-1-yl]prop-2-en-1-one
1415823-73-2
A250 [WO2012170976]
AKOS032954004
CS-6303
Evobrutinib
Evobrutinib [INN]
GTPL9752
HY-101215
M2951
MSC 2364447
MSC-2364447C
MSC2364447C
N-[(1-acryloylpiperidin-4-yl)methyl]-5-(4-phenoxyphenyl)pyrimidine-4,6-diamine
QUIWHXQETADMGN-UHFFFAOYSA-N
SCHEMBL14165673
UNII-ZA45457L1K
ZA45457L1K
ZINC205623965
evobrutinib
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| Structure |
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| Formula |
C25H27N5O2
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| Molecular Weight |
429.524
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| Canonical SMILES |
Nc1ncnc(NCC2CCN(CC2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C25H27N5O2/c1-2-22(31)30-14-12-18(13-15-30)16-27-25-23(24(26)28-17-29-25)19-8-10-21(11-9-19)32-20-6-4-3-5-7-20/h2-11,17-18H,1,12-16H2,(H3,26,27,28,29)
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| InChIKey |
QUIWHXQETADMGN-UHFFFAOYSA-N
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| CAS |
1415823-73-2
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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: PT00922, Epidermal growth factor receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT01308, Tyrosine-protein kinase BTK
Clinical Information about the Compound