General Information of the Compound
| Compound ID |
CP0504957
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| Compound Name |
2-(2-(1-heptyl-3-o-tolylureido)-2,3-dihydro-1H-inden-5-ylthio)-2-methylpropanoic acid
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| Structure |
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| Formula |
C28H38N2O3S
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| Molecular Weight |
482.69
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| Canonical SMILES |
CCCCCCCN(C1Cc2ccc(SC(C)(C)C(O)=O)cc2C1)C(=O)Nc1ccccc1C
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| InChI |
InChI=1S/C28H38N2O3S/c1-5-6-7-8-11-16-30(27(33)29-25-13-10-9-12-20(25)2)23-17-21-14-15-24(19-22(21)18-23)34-28(3,4)26(31)32/h9-10,12-15,19,23H,5-8,11,16-18H2,1-4H3,(H,29,33)(H,31,32)
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| InChIKey |
QMKQWAHBESJUQZ-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