General Information of the Compound
| Compound ID |
CP0504022
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| Compound Name |
3-(3,4-Dichloro-benzenesulfonyl)-thiazolidine-2-carboxylic acid(5-hydroxy-adamantan-2-yl)-amide
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| Structure |
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| Formula |
C20H24Cl2N2O4S2
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| Molecular Weight |
491.462
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| Canonical SMILES |
OC12CC3CC(C1)C(NC(=O)C1SCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(C3)C2
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| InChI |
InChI=1S/C20H24Cl2N2O4S2/c21-15-2-1-14(7-16(15)22)30(27,28)24-3-4-29-19(24)18(25)23-17-12-5-11-6-13(17)10-20(26,8-11)9-12/h1-2,7,11-13,17,19,26H,3-6,8-10H2,(H,23,25)
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| InChIKey |
DJOWGPKXRUOLPI-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