General Information of the Compound
| Compound ID |
CP0493429
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| Compound Name |
US9434711, 628
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| Structure |
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| Formula |
C22H23NO4S2
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| Molecular Weight |
429.563
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| Canonical SMILES |
COC(=O)c1ccc(cc1)S(=O)(=O)N(CCC1CC1)c1sc2ccccc2c1C
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| InChI |
InChI=1S/C22H23NO4S2/c1-15-19-5-3-4-6-20(19)28-21(15)23(14-13-16-7-8-16)29(25,26)18-11-9-17(10-12-18)22(24)27-2/h3-6,9-12,16H,7-8,13-14H2,1-2H3
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| InChIKey |
WNJVFCDTKAKRQE-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