General Information of the Compound
| Compound ID |
CP0461633
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| Compound Name |
2-(2-(1-heptyl-3-(2-(trifluoromethylthio)phenyl)ureido)-2,3-dihydro-1H-inden-5-ylthio)-2-methylpropanoic acid
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| Structure |
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| Formula |
C28H35F3N2O3S2
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| Molecular Weight |
568.727
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| Canonical SMILES |
CCCCCCCN(C1Cc2ccc(SC(C)(C)C(O)=O)cc2C1)C(=O)Nc1ccccc1SC(F)(F)F
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| InChI |
InChI=1S/C28H35F3N2O3S2/c1-4-5-6-7-10-15-33(26(36)32-23-11-8-9-12-24(23)38-28(29,30)31)21-16-19-13-14-22(18-20(19)17-21)37-27(2,3)25(34)35/h8-9,11-14,18,21H,4-7,10,15-17H2,1-3H3,(H,32,36)(H,34,35)
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| InChIKey |
RNEHFYFKSBLLKZ-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