General Information of the Compound
| Compound ID |
CP0386681
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| Compound Name |
N-(4-hydroxynaphthalen-1-yl)-3-oxo-2-thiatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene-10-sulfonamide
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| Structure |
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| Formula |
C21H13NO4S2
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| Molecular Weight |
407.472
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| Canonical SMILES |
Oc1ccc(NS(=O)(=O)c2cc3SC(=O)c4cccc(c2)c34)c2ccccc12
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| InChI |
InChI=1S/C21H13NO4S2/c23-18-9-8-17(14-5-1-2-6-15(14)18)22-28(25,26)13-10-12-4-3-7-16-20(12)19(11-13)27-21(16)24/h1-11,22-23H
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| InChIKey |
ZZAUVGINMLVAHF-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