General Information of the Compound
| Compound ID |
CP0454143
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| Compound Name |
2-(2-(1-isopentyl-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 |
C26H31F3N2O4S
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| Molecular Weight |
524.605
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| Canonical SMILES |
CC(C)CCN(C1Cc2ccc(SC(C)(C)C(O)=O)cc2C1)C(=O)Nc1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C26H31F3N2O4S/c1-16(2)11-12-31(24(34)30-19-6-8-21(9-7-19)35-26(27,28)29)20-13-17-5-10-22(15-18(17)14-20)36-25(3,4)23(32)33/h5-10,15-16,20H,11-14H2,1-4H3,(H,30,34)(H,32,33)
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| InChIKey |
NXGNAXMAPGMFRB-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