General Information of the Compound
| Compound ID |
CP0457902
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| Compound Name |
2-(2-(1-heptyl-3-phenylureido)-2,3-dihydro-1H-inden-5-ylthio)-2-methylpropanoic acid
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| Structure |
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| Formula |
C27H36N2O3S
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| Molecular Weight |
468.663
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| Canonical SMILES |
CCCCCCCN(C1Cc2ccc(SC(C)(C)C(O)=O)cc2C1)C(=O)Nc1ccccc1
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| InChI |
InChI=1S/C27H36N2O3S/c1-4-5-6-7-11-16-29(26(32)28-22-12-9-8-10-13-22)23-17-20-14-15-24(19-21(20)18-23)33-27(2,3)25(30)31/h8-10,12-15,19,23H,4-7,11,16-18H2,1-3H3,(H,28,32)(H,30,31)
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| InChIKey |
XCPFEDYAOSPIJB-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