General Information of the Compound
| Compound ID |
CP0476340
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| Compound Name |
4-amino-N-[3-bromo-1-[(6-fluoropyridin-2-yl)methyl]indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide
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| Structure |
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| Formula |
C20H13BrFN7OS
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| Molecular Weight |
498.341
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| Canonical SMILES |
Nc1ncnc2c(csc12)C(=O)Nc1cccc2n(Cc3cccc(F)n3)nc(Br)c12
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| InChI |
InChI=1S/C20H13BrFN7OS/c21-18-15-12(27-20(30)11-8-31-17-16(11)24-9-25-19(17)23)4-2-5-13(15)29(28-18)7-10-3-1-6-14(22)26-10/h1-6,8-9H,7H2,(H,27,30)(H2,23,24,25)
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| InChIKey |
FMMQTCCMEZEMBB-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