General Information of the Compound
| Compound ID |
CP0536501
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| Compound Name |
4-amino-N-[3-bromo-1-[(6-methoxypyridin-2-yl)methyl]indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide
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| Structure |
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| Formula |
C21H16BrN7O2S
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| Molecular Weight |
510.377
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| Canonical SMILES |
COc1cccc(Cn2nc(Br)c3c(NC(=O)c4csc5c(N)ncnc45)cccc23)n1
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| InChI |
InChI=1S/C21H16BrN7O2S/c1-31-15-7-2-4-11(26-15)8-29-14-6-3-5-13(16(14)19(22)28-29)27-21(30)12-9-32-18-17(12)24-10-25-20(18)23/h2-7,9-10H,8H2,1H3,(H,27,30)(H2,23,24,25)
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| InChIKey |
KYKURVSIVCWOHA-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