General Information of the Compound
| Compound ID |
CP0248101
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| Compound Name |
2-[5-chloro-3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-4-fluoroindazol-1-yl]acetic acid
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| Structure |
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| Formula |
C23H20ClF4N3O3
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| Molecular Weight |
497.876
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| Canonical SMILES |
CCN(Cc1cc(ccc1-c1nn(CC(O)=O)c2ccc(Cl)c(F)c12)C(F)(F)F)C(=O)C1CC1
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| InChI |
InChI=1S/C23H20ClF4N3O3/c1-2-30(22(34)12-3-4-12)10-13-9-14(23(26,27)28)5-6-15(13)21-19-17(8-7-16(24)20(19)25)31(29-21)11-18(32)33/h5-9,12H,2-4,10-11H2,1H3,(H,32,33)
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| InChIKey |
CUPMQTQEACOERL-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