General Information of the Compound
| Compound ID |
CP0213319
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| Compound Name |
9-N,11-N-bis(4-hydroxyphenyl)-3-oxo-2-thiatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene-9,11-disulfonamide
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| Structure |
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| Formula |
C23H16N2O7S3
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| Molecular Weight |
528.589
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| Canonical SMILES |
Oc1ccc(NS(=O)(=O)c2cc(c3cccc4C(=O)Sc2c34)S(=O)(=O)Nc2ccc(O)cc2)cc1
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| InChI |
InChI=1S/C23H16N2O7S3/c26-15-8-4-13(5-9-15)24-34(29,30)19-12-20(35(31,32)25-14-6-10-16(27)11-7-14)22-21-17(19)2-1-3-18(21)23(28)33-22/h1-12,24-27H
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| InChIKey |
CLBCQYRZNKJNMZ-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