General Information of the Compound
| Compound ID |
CP0874302
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| Compound Name |
4-hydroxy-7-(3-(5-hydroxy-6-(phenyldiazenyl)-7-sulfonaphthalen-2-yl)ureido)-3-((6-sulfonaphthalen-2-yl)diazenyl)naphthalene-2-sulfonic acid
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| Formula |
C37H26N6O12S3
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| Molecular Weight |
842.846
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| Canonical SMILES |
O=C(Nc1ccc2c(O)c(/N=N/c3ccccc3)c(S(=O)(=O)O)cc2c1)Nc1ccc2c(O)c(/N=N/c3ccc4cc(S(=O)(=O)O)ccc4c3)c(S(=O)(=O)O)cc2c1
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| InChI |
InChI=1S/C37H26N6O12S3/c44-35-29-12-9-25(15-22(29)18-31(57(50,51)52)33(35)42-40-24-4-2-1-3-5-24)38-37(46)39-26-10-13-30-23(16-26)19-32(58(53,54)55)34(36(30)45)43-41-27-8-6-21-17-28(56(47,48)49)11-7-20(21)14-27/h1-19,44-45H,(H2,38,39,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)/b42-40+,43-41+
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| InChIKey |
NWOCDYDZTXIFOD-IZRQRQPJSA-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