General Information of the Compound
| Compound ID |
CP0492819
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| Compound Name |
2-(2-(1-hexyl-3-(4-isopropylphenyl)ureido)-2,3-dihydro-1H-inden-5-ylthio)-2-methylpropanoic acid
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| Structure |
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| Formula |
C29H40N2O3S
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| Molecular Weight |
496.717
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| Canonical SMILES |
CCCCCCN(C1Cc2ccc(SC(C)(C)C(O)=O)cc2C1)C(=O)Nc1ccc(cc1)C(C)C
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| InChI |
InChI=1S/C29H40N2O3S/c1-6-7-8-9-16-31(28(34)30-24-13-10-21(11-14-24)20(2)3)25-17-22-12-15-26(19-23(22)18-25)35-29(4,5)27(32)33/h10-15,19-20,25H,6-9,16-18H2,1-5H3,(H,30,34)(H,32,33)
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| InChIKey |
HKRMDWUCOQXZDW-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