General Information of the Compound
| Compound ID |
CP0523640
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| Compound Name |
4-chloro-N-[4-fluoro-3-[(3-methoxy-1H-pyrazolo[3,4-b]pyridin-5-yl)carbamoyl]phenyl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C22H14ClF4N5O3
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| Molecular Weight |
507.831
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| Canonical SMILES |
COc1n[nH]c2ncc(NC(=O)c3cc(NC(=O)c4ccc(Cl)c(c4)C(F)(F)F)ccc3F)cc12
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| InChI |
InChI=1S/C22H14ClF4N5O3/c1-35-21-14-8-12(9-28-18(14)31-32-21)30-20(34)13-7-11(3-5-17(13)24)29-19(33)10-2-4-16(23)15(6-10)22(25,26)27/h2-9H,1H3,(H,29,33)(H,30,34)(H,28,31,32)
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| InChIKey |
DRSZTFBHAXLJSS-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