General Information of the Compound
| Compound ID |
CP0569194
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| Compound Name |
N-[2-(3-aminoanilino)pyrimidin-5-yl]-5-[[3-(4-fluorophenyl)benzoyl]amino]-2-methylbenzamide
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| Structure |
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| Formula |
C31H25FN6O2
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| Molecular Weight |
532.579
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| Canonical SMILES |
Cc1ccc(NC(=O)c2cccc(c2)-c2ccc(F)cc2)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1
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| InChI |
InChI=1S/C31H25FN6O2/c1-19-8-13-26(36-29(39)22-5-2-4-21(14-22)20-9-11-23(32)12-10-20)16-28(19)30(40)37-27-17-34-31(35-18-27)38-25-7-3-6-24(33)15-25/h2-18H,33H2,1H3,(H,36,39)(H,37,40)(H,34,35,38)
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| InChIKey |
OXQLPBHQZPVYQX-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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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: PT01654, Tyrosine-protein kinase Blk
Protein ID: PT01308, Tyrosine-protein kinase BTK