General Information of the Compound
| Compound ID |
CP0568151
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| Compound Name |
N-[3-[[2-(3-aminoanilino)pyrimidin-5-yl]carbamoyl]-4-methylphenyl]-6-methoxynaphthalene-2-carboxamide
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| Structure |
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| Formula |
C30H26N6O3
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| Molecular Weight |
518.577
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| Canonical SMILES |
COc1ccc2cc(ccc2c1)C(=O)Nc1ccc(C)c(c1)C(=O)Nc1cnc(Nc2cccc(N)c2)nc1
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| InChI |
InChI=1S/C30H26N6O3/c1-18-6-10-24(34-28(37)21-8-7-20-13-26(39-2)11-9-19(20)12-21)15-27(18)29(38)35-25-16-32-30(33-17-25)36-23-5-3-4-22(31)14-23/h3-17H,31H2,1-2H3,(H,34,37)(H,35,38)(H,32,33,36)
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| InChIKey |
YEVYGRCYEKDRGH-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