General Information of the Compound
| Compound ID |
CP0100227
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| Compound Name |
CHEMBL120868
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| Formula |
C23H24ClNO5S
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| Molecular Weight |
461.967
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| Canonical SMILES |
Clc1ccc(cc1)S(=O)(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)Cc1ccccc1
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| InChI |
InChI=1S/C23H24ClNO5S/c24-17-6-10-21(11-7-17)31(28,29)15-22(26)25-18-8-9-19(25)14-20(13-18)30-23(27)12-16-4-2-1-3-5-16/h1-7,10-11,18-20H,8-9,12-15H2/t18-,19+,20+
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| InChIKey |
ZQTQESKMPTYKMW-PMOLBWCYSA-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