General Information of the Compound
| Compound ID |
CP0532626
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| Compound Name |
US9434711, 716
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| Structure |
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| Formula |
C20H21ClN2O4S3
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| Molecular Weight |
485.052
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| Canonical SMILES |
CS(=O)(=O)Nc1ccc(cc1)S(=O)(=O)N(CCC1CC1)c1sc2ccccc2c1Cl
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| InChI |
InChI=1S/C20H21ClN2O4S3/c1-29(24,25)22-15-8-10-16(11-9-15)30(26,27)23(13-12-14-6-7-14)20-19(21)17-4-2-3-5-18(17)28-20/h2-5,8-11,14,22H,6-7,12-13H2,1H3
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| InChIKey |
MDQYFXBLALCVBY-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