General Information of the Compound
| Compound ID |
CP0508674
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| Compound Name |
4-{[3-(3,4-Dichloro-benzenesulfonyl)-thiazolidine-2-carbonyl]-amino}-adamantane-1-carboxylic acid methyl ester
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| Structure |
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| Formula |
C22H26Cl2N2O5S2
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| Molecular Weight |
533.499
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| Canonical SMILES |
COC(=O)C12CC3CC(C1)C(NC(=O)C1SCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(C3)C2
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| InChI |
InChI=1S/C22H26Cl2N2O5S2/c1-31-21(28)22-9-12-6-13(10-22)18(14(7-12)11-22)25-19(27)20-26(4-5-32-20)33(29,30)15-2-3-16(23)17(24)8-15/h2-3,8,12-14,18,20H,4-7,9-11H2,1H3,(H,25,27)
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| InChIKey |
VYJHLADPYMWYQC-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