General Information of the Compound
| Compound ID |
CP0457892
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| Compound Name |
2-(2-(1-(2-methoxyethyl)-3-(4-(trifluoromethoxy)phenyl)ureido)-2,3-dihydro-1H-inden-5-ylthio)-2-methylpropanoic acid
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| Structure |
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| Formula |
C24H27F3N2O5S
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| Molecular Weight |
512.55
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| Canonical SMILES |
COCCN(C1Cc2ccc(SC(C)(C)C(O)=O)cc2C1)C(=O)Nc1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C24H27F3N2O5S/c1-23(2,21(30)31)35-20-9-4-15-12-18(13-16(15)14-20)29(10-11-33-3)22(32)28-17-5-7-19(8-6-17)34-24(25,26)27/h4-9,14,18H,10-13H2,1-3H3,(H,28,32)(H,30,31)
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| InChIKey |
SWOPRZXVWFJBNG-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