General Information of the Compound
| Compound ID |
CP0461624
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| Compound Name |
2-methyl-2-(2-(1-octyl-3-(4-(trifluoromethoxy)phenyl)ureido)-2,3-dihydro-1H-inden-5-ylthio)propanoic acid
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| Structure |
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| Formula |
C29H37F3N2O4S
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| Molecular Weight |
566.686
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| Canonical SMILES |
CCCCCCCCN(C1Cc2ccc(SC(C)(C)C(O)=O)cc2C1)C(=O)Nc1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C29H37F3N2O4S/c1-4-5-6-7-8-9-16-34(27(37)33-22-11-13-24(14-12-22)38-29(30,31)32)23-17-20-10-15-25(19-21(20)18-23)39-28(2,3)26(35)36/h10-15,19,23H,4-9,16-18H2,1-3H3,(H,33,37)(H,35,36)
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| InChIKey |
SIUYKLSDFIWNAL-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