General Information of the Compound
| Compound ID |
CP0550545
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| Compound Name |
N-[3-[[2-(3-aminoanilino)pyrimidin-5-yl]carbamoyl]-4-methylphenyl]-6-bromonaphthalene-2-carboxamide
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| Structure |
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| Formula |
C29H23BrN6O2
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| Molecular Weight |
567.447
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| Canonical SMILES |
Cc1ccc(NC(=O)c2ccc3cc(Br)ccc3c2)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1
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| InChI |
InChI=1S/C29H23BrN6O2/c1-17-5-10-24(34-27(37)20-7-6-19-12-21(30)9-8-18(19)11-20)14-26(17)28(38)35-25-15-32-29(33-16-25)36-23-4-2-3-22(31)13-23/h2-16H,31H2,1H3,(H,34,37)(H,35,38)(H,32,33,36)
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| InChIKey |
MRXCLHVAIIGTOJ-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