General Information of the Compound
| Compound ID |
CP0433144
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| Compound Name |
2-(2-(3-(2,4-difluorophenyl)-1-heptylureido)-2,3-dihydro-1H-inden-5-ylthio)-2-methylpropanoic acid
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| Structure |
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| Formula |
C27H34F2N2O3S
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| Molecular Weight |
504.643
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| Canonical SMILES |
CCCCCCCN(C1Cc2ccc(SC(C)(C)C(O)=O)cc2C1)C(=O)Nc1ccc(F)cc1F
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| InChI |
InChI=1S/C27H34F2N2O3S/c1-4-5-6-7-8-13-31(26(34)30-24-12-10-20(28)17-23(24)29)21-14-18-9-11-22(16-19(18)15-21)35-27(2,3)25(32)33/h9-12,16-17,21H,4-8,13-15H2,1-3H3,(H,30,34)(H,32,33)
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| InChIKey |
IZDCHFNVONXTLK-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