General Information of the Compound
| Compound ID |
CP0507260
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| Compound Name |
US9434711, 233
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| Structure |
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| Formula |
C22H18BrNO2S2
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| Molecular Weight |
472.429
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| Canonical SMILES |
Brc1c(sc2ccccc12)N(CCc1ccccc1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C22H18BrNO2S2/c23-21-19-13-7-8-14-20(19)27-22(21)24(16-15-17-9-3-1-4-10-17)28(25,26)18-11-5-2-6-12-18/h1-14H,15-16H2
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| InChIKey |
CQHZSMQOLAVJNZ-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