General Information of the Compound
| Compound ID |
CP0457893
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| Compound Name |
2-(2-(1-isobutyl-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 |
C25H29F3N2O4S
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| Molecular Weight |
510.578
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| Canonical SMILES |
CC(C)CN(C1Cc2ccc(SC(C)(C)C(O)=O)cc2C1)C(=O)Nc1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C25H29F3N2O4S/c1-15(2)14-30(23(33)29-18-6-8-20(9-7-18)34-25(26,27)28)19-11-16-5-10-21(13-17(16)12-19)35-24(3,4)22(31)32/h5-10,13,15,19H,11-12,14H2,1-4H3,(H,29,33)(H,31,32)
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| InChIKey |
OZOLMCRNOXGXAX-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