General Information of the Compound
| Compound ID |
CP0399478
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| Compound Name |
2-[2-methyl-4-oxo-3-[[2-[4-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-1-yl]acetic acid
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| Structure |
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| Formula |
C24H21F3N2O6S
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| Molecular Weight |
522.501
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| Canonical SMILES |
Cc1c(Cc2ccccc2S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c2c(CCNC2=O)n1CC(O)=O
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| InChI |
InChI=1S/C24H21F3N2O6S/c1-14-18(22-19(10-11-28-23(22)32)29(14)13-21(30)31)12-15-4-2-3-5-20(15)36(33,34)17-8-6-16(7-9-17)35-24(25,26)27/h2-9H,10-13H2,1H3,(H,28,32)(H,30,31)
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| InChIKey |
WROJWHDKZMSTDT-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