General Information of the Compound
Compound ID |
CP0577851
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Compound Name |
N-[2-(3-aminoanilino)pyrimidin-5-yl]-2-methyl-5-[(3-pyridin-3-ylbenzoyl)amino]benzamide
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Structure |
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Formula |
C30H25N7O2
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Molecular Weight |
515.577
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Canonical SMILES |
Cc1ccc(NC(=O)c2cccc(c2)-c2cccnc2)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1
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InChI |
InChI=1S/C30H25N7O2/c1-19-10-11-25(35-28(38)21-6-2-5-20(13-21)22-7-4-12-32-16-22)15-27(19)29(39)36-26-17-33-30(34-18-26)37-24-9-3-8-23(31)14-24/h2-18H,31H2,1H3,(H,35,38)(H,36,39)(H,33,34,37)
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InChIKey |
RJVBLELKWSSFMN-UHFFFAOYSA-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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PubChem ID |
Map of Molecular Bioactivity Related to the Compound
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: PT01654, Tyrosine-protein kinase Blk
Protein ID: PT01308, Tyrosine-protein kinase BTK