General Information of the Compound
| Compound ID |
CP0400372
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| Compound Name |
US9434711, 118
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| Structure |
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| Formula |
C21H23NO2S2
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| Molecular Weight |
385.554
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| Canonical SMILES |
O=S(=O)(N(CC1CCCCC1)c1cc2ccccc2s1)c1ccccc1
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| InChI |
InChI=1S/C21H23NO2S2/c23-26(24,19-12-5-2-6-13-19)22(16-17-9-3-1-4-10-17)21-15-18-11-7-8-14-20(18)25-21/h2,5-8,11-15,17H,1,3-4,9-10,16H2
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| InChIKey |
MXEXXMVRRBVRJL-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