General Information of the Compound
| Compound ID |
CP0500942
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| Compound Name |
US9434711, 503
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| Structure |
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| Formula |
C20H20BrNO3S2
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| Molecular Weight |
466.422
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| Canonical SMILES |
CCCCN(c1sc2ccccc2c1C(C)=O)S(=O)(=O)c1ccc(Br)cc1
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| InChI |
InChI=1S/C20H20BrNO3S2/c1-3-4-13-22(27(24,25)16-11-9-15(21)10-12-16)20-19(14(2)23)17-7-5-6-8-18(17)26-20/h5-12H,3-4,13H2,1-2H3
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| InChIKey |
YDWJMFVYVQTDBW-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