General Information of the Compound
| Compound ID |
CP0431990
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| Compound Name |
4-amino-N-[3-chloro-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 |
C21H16ClN7OS
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| Molecular Weight |
449.927
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| Canonical SMILES |
Cc1cccc(Cn2nc(Cl)c3c(NC(=O)c4csc5c(N)ncnc45)cccc23)n1
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| InChI |
InChI=1S/C21H16ClN7OS/c1-11-4-2-5-12(26-11)8-29-15-7-3-6-14(16(15)19(22)28-29)27-21(30)13-9-31-18-17(13)24-10-25-20(18)23/h2-7,9-10H,8H2,1H3,(H,27,30)(H2,23,24,25)
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| InChIKey |
ZANXTNYKTWJNKO-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