General Information of the Compound
| Compound ID |
CP0555023
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| Compound Name |
4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-[(1-ethylindazol-5-yl)methyl]sulfamoyl]benzoic acid
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| Structure |
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| Formula |
C23H18ClF3N4O4S
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| Molecular Weight |
538.935
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| Canonical SMILES |
CCn1ncc2cc(CN(c3ncc(cc3Cl)C(F)(F)F)S(=O)(=O)c3ccc(cc3)C(O)=O)ccc12
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| InChI |
InChI=1S/C23H18ClF3N4O4S/c1-2-30-20-8-3-14(9-16(20)11-29-30)13-31(21-19(24)10-17(12-28-21)23(25,26)27)36(34,35)18-6-4-15(5-7-18)22(32)33/h3-12H,2,13H2,1H3,(H,32,33)
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| InChIKey |
AVABLTKDQUTJKV-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