General Information of the Compound
| Compound ID |
CP0271723
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| Compound Name |
2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-fluorophenyl]-5-(trifluoromethyl)indol-1-yl]acetic acid
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| Structure |
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| Formula |
C24H22F4N2O3
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| Molecular Weight |
462.443
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| Canonical SMILES |
CCN(Cc1cc(F)ccc1-c1cn(CC(O)=O)c2ccc(cc12)C(F)(F)F)C(=O)C1CC1
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| InChI |
InChI=1S/C24H22F4N2O3/c1-2-29(23(33)14-3-4-14)11-15-9-17(25)6-7-18(15)20-12-30(13-22(31)32)21-8-5-16(10-19(20)21)24(26,27)28/h5-10,12,14H,2-4,11,13H2,1H3,(H,31,32)
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| InChIKey |
SABLZOGPMBJMHI-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