General Information of the Compound
| Compound ID |
CP0557379
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| Compound Name |
2-amino-4-[1-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoroindazol-3-yl]benzoic acid
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| Structure |
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| Formula |
C22H12ClF4N3O3
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| Molecular Weight |
477.801
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| Canonical SMILES |
Nc1cc(ccc1C(O)=O)-c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccc(F)c12
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| InChI |
InChI=1S/C22H12ClF4N3O3/c23-13-4-1-3-12(22(25,26)27)17(13)20(31)30-16-6-2-5-14(24)18(16)19(29-30)10-7-8-11(21(32)33)15(28)9-10/h1-9H,28H2,(H,32,33)
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| InChIKey |
GBUVFMJOXSQSEP-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