General Information of the Compound
| Compound ID |
CP0535403
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| Compound Name |
4-amino-N-[3-bromo-1-[(1-ethyl-5-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide
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| Structure |
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| Formula |
C23H23BrN8OS
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| Molecular Weight |
539.463
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| Canonical SMILES |
CCn1nc(Cn2nc(Br)c3c(NC(=O)c4csc5c(N)ncnc45)cccc23)cc1C(C)C
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| InChI |
InChI=1S/C23H23BrN8OS/c1-4-31-17(12(2)3)8-13(29-31)9-32-16-7-5-6-15(18(16)21(24)30-32)28-23(33)14-10-34-20-19(14)26-11-27-22(20)25/h5-8,10-12H,4,9H2,1-3H3,(H,28,33)(H2,25,26,27)
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| InChIKey |
YXAAIIAVENZISF-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