General Information of the Compound
| Compound ID |
CP0446675
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| Compound Name |
4-amino-N-[3-ethyl-1-[(6-methylpyridin-2-yl)methyl]indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide
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| Structure |
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| Formula |
C23H21N7OS
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| Molecular Weight |
443.536
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| Canonical SMILES |
CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3csc4c(N)ncnc34)c12
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| InChI |
InChI=1S/C23H21N7OS/c1-3-16-19-17(28-23(31)15-11-32-21-20(15)25-12-26-22(21)24)8-5-9-18(19)30(29-16)10-14-7-4-6-13(2)27-14/h4-9,11-12H,3,10H2,1-2H3,(H,28,31)(H2,24,25,26)
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| InChIKey |
RLIPSBGNNBBRDR-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