General Information of the Compound
| Compound ID |
CP0575965
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| Compound Name |
N-[3-[[2-(3-aminoanilino)pyrimidin-5-yl]carbamoyl]-4-methylphenyl]isoquinoline-6-carboxamide
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| Structure |
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| Formula |
C28H23N7O2
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| Molecular Weight |
489.539
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| Canonical SMILES |
Cc1ccc(NC(=O)c2ccc3cnccc3c2)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1
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| InChI |
InChI=1S/C28H23N7O2/c1-17-5-8-23(33-26(36)19-6-7-20-14-30-10-9-18(20)11-19)13-25(17)27(37)34-24-15-31-28(32-16-24)35-22-4-2-3-21(29)12-22/h2-16H,29H2,1H3,(H,33,36)(H,34,37)(H,31,32,35)
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| InChIKey |
RWSXMGOKPQHHNZ-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