General Information of the Compound
| Compound ID |
CP0568150
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| Compound Name |
N-[2-(3-aminoanilino)pyrimidin-5-yl]-5-[[3-(6-fluoropyridin-3-yl)benzoyl]amino]-2-methylbenzamide
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| Structure |
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| Formula |
C30H24FN7O2
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| Molecular Weight |
533.567
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| Canonical SMILES |
Cc1ccc(NC(=O)c2cccc(c2)-c2ccc(F)nc2)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1
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| InChI |
InChI=1S/C30H24FN7O2/c1-18-8-10-24(36-28(39)20-5-2-4-19(12-20)21-9-11-27(31)33-15-21)14-26(18)29(40)37-25-16-34-30(35-17-25)38-23-7-3-6-22(32)13-23/h2-17H,32H2,1H3,(H,36,39)(H,37,40)(H,34,35,38)
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| InChIKey |
HJURBXZLFARTFO-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