General Information of the Compound
| Compound ID |
CP0362965
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| Compound Name |
1-(3-chlorophenyl)-3-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[3,4-b]pyridin-5-yl)triazol-1-yl]phenyl]urea
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| Structure |
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| Formula |
C22H15ClF2N8O2
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| Molecular Weight |
496.865
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| Canonical SMILES |
COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1c(F)ccc(NC(=O)Nc2cccc(Cl)c2)c1F
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| InChI |
InChI=1S/C22H15ClF2N8O2/c1-35-21-14-7-11(9-26-20(14)30-31-21)17-10-33(32-29-17)19-15(24)5-6-16(18(19)25)28-22(34)27-13-4-2-3-12(23)8-13/h2-10H,1H3,(H,26,30,31)(H2,27,28,34)
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| InChIKey |
JZXBVXNVBPKJRB-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