General Information of the Compound
| Compound ID |
CP0492938
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| Compound Name |
US9434711, 612
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| Structure |
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| Formula |
C21H19N3O4S2
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| Molecular Weight |
441.534
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| Canonical SMILES |
O=c1[nH]c(no1)-c1ccc(cc1)S(=O)(=O)N(CCC1CC1)c1cc2ccccc2s1
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| InChI |
InChI=1S/C21H19N3O4S2/c25-21-22-20(23-28-21)15-7-9-17(10-8-15)30(26,27)24(12-11-14-5-6-14)19-13-16-3-1-2-4-18(16)29-19/h1-4,7-10,13-14H,5-6,11-12H2,(H,22,23,25)
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| InChIKey |
LPUDCVFYJNPIGR-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