General Information of the Compound
| Compound ID |
CP0498658
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| Compound Name |
7-((4-((4-(4-benzamidobenzamido)-2-methylphenyl)diazenyl)-3-methoxyphenyl)diazenyl)naphthalene-1,3-disulfonic acid
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| Formula |
C38H30N6O9S2
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| Molecular Weight |
778.825
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| Canonical SMILES |
COc1cc(ccc1\N=N\c1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1C)\N=N\c1ccc2cc(cc(c2c1)S(O)(=O)=O)S(O)(=O)=O
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| InChI |
InChI=1S/C38H30N6O9S2/c1-23-18-28(40-38(46)25-8-11-27(12-9-25)39-37(45)24-6-4-3-5-7-24)14-16-33(23)43-44-34-17-15-30(21-35(34)53-2)42-41-29-13-10-26-19-31(54(47,48)49)22-36(32(26)20-29)55(50,51)52/h3-22H,1-2H3,(H,39,45)(H,40,46)(H,47,48,49)(H,50,51,52)/b42-41+,44-43+
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| InChIKey |
CGBGIPVEMXYBAV-PSLWYDSHSA-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