General Information of the Compound
| Compound ID |
CP0528062
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| Compound Name |
2-methyl-2-(2-(1-(4,4,4-trifluorobutyl)-3-(4-(trifluoromethoxy)phenyl)ureido)-2,3-dihydro-1H-inden-5-ylthio)propanoic acid
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| Structure |
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| Formula |
C25H26F6N2O4S
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| Molecular Weight |
564.548
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| Canonical SMILES |
CC(C)(Sc1ccc2CC(Cc2c1)N(CCCC(F)(F)F)C(=O)Nc1ccc(OC(F)(F)F)cc1)C(O)=O
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| InChI |
InChI=1S/C25H26F6N2O4S/c1-23(2,21(34)35)38-20-9-4-15-12-18(13-16(15)14-20)33(11-3-10-24(26,27)28)22(36)32-17-5-7-19(8-6-17)37-25(29,30)31/h4-9,14,18H,3,10-13H2,1-2H3,(H,32,36)(H,34,35)
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| InChIKey |
JLMCOZPWFDAIPV-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