General Information of the Compound
| Compound ID |
CP0433147
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| Compound Name |
2-(2-(3-(4-(dimethylamino)phenyl)-1-ethylureido)-2,3-dihydro-1H-inden-5-ylthio)-2-methylpropanoic acid
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| Structure |
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| Formula |
C24H31N3O3S
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| Molecular Weight |
441.597
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| Canonical SMILES |
CCN(C1Cc2ccc(SC(C)(C)C(O)=O)cc2C1)C(=O)Nc1ccc(cc1)N(C)C
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| InChI |
InChI=1S/C24H31N3O3S/c1-6-27(23(30)25-18-8-10-19(11-9-18)26(4)5)20-13-16-7-12-21(15-17(16)14-20)31-24(2,3)22(28)29/h7-12,15,20H,6,13-14H2,1-5H3,(H,25,30)(H,28,29)
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| InChIKey |
MSGOOQGXEBKSLS-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