General Information of the Compound
| Compound ID |
CP0554428
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| Compound Name |
US9434711, 399
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| Structure |
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| Formula |
C20H19NO4S2
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| Molecular Weight |
401.509
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| Canonical SMILES |
Cc1c(sc2ccccc12)N(CC1CC1)S(=O)(=O)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C20H19NO4S2/c1-13-17-4-2-3-5-18(17)26-19(13)21(12-14-6-7-14)27(24,25)16-10-8-15(9-11-16)20(22)23/h2-5,8-11,14H,6-7,12H2,1H3,(H,22,23)
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| InChIKey |
DJDZWNPRNQFRKI-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