General Information of the Compound
| Compound ID |
CP0531711
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| Compound Name |
US9434711, 641
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| Structure |
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| Formula |
C22H21N3O3S3
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| Molecular Weight |
471.629
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| Canonical SMILES |
Cc1c(sc2ccccc12)N(CCC1CC1)S(=O)(=O)c1ccc(cc1)-c1nsc(=O)[nH]1
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| InChI |
InChI=1S/C22H21N3O3S3/c1-14-18-4-2-3-5-19(18)29-21(14)25(13-12-15-6-7-15)31(27,28)17-10-8-16(9-11-17)20-23-22(26)30-24-20/h2-5,8-11,15H,6-7,12-13H2,1H3,(H,23,24,26)
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| InChIKey |
ZWQFXEFWNOXQFB-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