General Information of the Compound
| Compound ID |
CP0550587
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| Compound Name |
N-[2-(3-aminoanilino)pyrimidin-5-yl]-5-[[3-(furan-2-yl)benzoyl]amino]-2-methylbenzamide
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| Structure |
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| Formula |
C29H24N6O3
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| Molecular Weight |
504.55
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| Canonical SMILES |
Cc1ccc(NC(=O)c2cccc(c2)-c2ccco2)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1
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| InChI |
InChI=1S/C29H24N6O3/c1-18-10-11-23(33-27(36)20-6-2-5-19(13-20)26-9-4-12-38-26)15-25(18)28(37)34-24-16-31-29(32-17-24)35-22-8-3-7-21(30)14-22/h2-17H,30H2,1H3,(H,33,36)(H,34,37)(H,31,32,35)
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| InChIKey |
KHTYLSIHFRAWQO-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