General Information of the Compound
| Compound ID |
CP0537977
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| Compound Name |
2-(3-chlorophenyl)-N-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[3,4-b]pyridin-5-yl)triazol-1-yl]phenyl]acetamide
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| Structure |
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| Formula |
C23H16ClF2N7O2
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| Molecular Weight |
495.877
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| Canonical SMILES |
COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1c(F)ccc(NC(=O)Cc2cccc(Cl)c2)c1F
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| InChI |
InChI=1S/C23H16ClF2N7O2/c1-35-23-15-9-13(10-27-22(15)30-31-23)18-11-33(32-29-18)21-16(25)5-6-17(20(21)26)28-19(34)8-12-3-2-4-14(24)7-12/h2-7,9-11H,8H2,1H3,(H,28,34)(H,27,30,31)
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| InChIKey |
XTUAHPVXWFQDFX-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