General Information of the Compound
| Compound ID |
CP0490400
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| Compound Name |
2-methyl-2-(2-(1-methyl-3-(4-(trifluoromethoxy)phenyl)ureido)-2,3-dihydro-1H-inden-5-ylthio)propanoic acid
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| Structure |
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| Formula |
C22H23F3N2O4S
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| Molecular Weight |
468.497
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| Canonical SMILES |
CN(C1Cc2ccc(SC(C)(C)C(O)=O)cc2C1)C(=O)Nc1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C22H23F3N2O4S/c1-21(2,19(28)29)32-18-9-4-13-10-16(11-14(13)12-18)27(3)20(30)26-15-5-7-17(8-6-15)31-22(23,24)25/h4-9,12,16H,10-11H2,1-3H3,(H,26,30)(H,28,29)
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| InChIKey |
PCUNZQFECZBOOY-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