General Information of the Compound
| Compound ID |
CP0563454
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| Compound Name |
US9434711, 718
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| Structure |
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| Formula |
C22H23ClN2O4S3
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| Molecular Weight |
511.09
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| Canonical SMILES |
Clc1c(sc2ccccc12)N(CCC1CC1)S(=O)(=O)c1ccc(NS(=O)(=O)C2CC2)cc1
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| InChI |
InChI=1S/C22H23ClN2O4S3/c23-21-19-3-1-2-4-20(19)30-22(21)25(14-13-15-5-6-15)32(28,29)18-9-7-16(8-10-18)24-31(26,27)17-11-12-17/h1-4,7-10,15,17,24H,5-6,11-14H2
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| InChIKey |
JGVVDJZNLXBIBW-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