General Information of the Compound
| Compound ID |
CP0390105
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| Compound Name |
4-acetamido-2-((4-(4-aminobenzamido)-2-methylphenyl)diazenyl)-5-((4-((4-sulfophenyl)diazenyl)phenyl)diazenyl)benzenesulfonic acid
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| Formula |
C34H29N9O8S2
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| Molecular Weight |
755.795
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| Canonical SMILES |
CC(=O)Nc1cc(\N=N\c2ccc(NC(=O)c3ccc(N)cc3)cc2C)c(cc1\N=N\c1ccc(cc1)\N=N\c1ccc(cc1)S(O)(=O)=O)S(O)(=O)=O
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| InChI |
InChI=1S/C34H29N9O8S2/c1-20-17-27(37-34(45)22-3-5-23(35)6-4-22)13-16-29(20)41-43-32-18-30(36-21(2)44)31(19-33(32)53(49,50)51)42-40-25-9-7-24(8-10-25)38-39-26-11-14-28(15-12-26)52(46,47)48/h3-19H,35H2,1-2H3,(H,36,44)(H,37,45)(H,46,47,48)(H,49,50,51)/b39-38+,42-40+,43-41+
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| InChIKey |
VLTOAILMNHIVPM-CSJPDCIZSA-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