General Information of the Compound
| Compound ID |
CP0568839
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| Compound Name |
benzyl N-[3-[[2-(3-aminoanilino)pyrimidin-5-yl]carbamoyl]-4-methylphenyl]carbamate
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| Structure |
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| Formula |
C26H24N6O3
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| Molecular Weight |
468.517
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| Canonical SMILES |
Cc1ccc(NC(=O)OCc2ccccc2)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1
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| InChI |
InChI=1S/C26H24N6O3/c1-17-10-11-21(32-26(34)35-16-18-6-3-2-4-7-18)13-23(17)24(33)30-22-14-28-25(29-15-22)31-20-9-5-8-19(27)12-20/h2-15H,16,27H2,1H3,(H,30,33)(H,32,34)(H,28,29,31)
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| InChIKey |
WOLATEJXXTXCRC-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