General Information of the Compound
| Compound ID |
CP0482812
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| Compound Name |
4-amino-N-[3-bromo-1-[(4-methoxyphenyl)methyl]indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide
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| Structure |
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| Formula |
C22H17BrN6O2S
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| Molecular Weight |
509.389
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| Canonical SMILES |
COc1ccc(Cn2nc(Br)c3c(NC(=O)c4csc5c(N)ncnc45)cccc23)cc1
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| InChI |
InChI=1S/C22H17BrN6O2S/c1-31-13-7-5-12(6-8-13)9-29-16-4-2-3-15(17(16)20(23)28-29)27-22(30)14-10-32-19-18(14)25-11-26-21(19)24/h2-8,10-11H,9H2,1H3,(H,27,30)(H2,24,25,26)
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| InChIKey |
MRPBBSHOFXMAHC-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