General Information of the Compound
| Compound ID |
CP0894069
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| Compound Name |
3-((2-amino-6-sulfonaphthalen-1-yl)diazenyl)-4-hydroxy-7-(3-(5-hydroxy-6-((2-methoxyphenyl)diazenyl)-7-sulfonaphthalen-2-yl)ureido)naphthalene-2-sulfonic acid
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| Formula |
C38H29N7O13S3
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| Molecular Weight |
887.887
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| Canonical SMILES |
COc1ccccc1/N=N/c1c(S(=O)(=O)O)cc2cc(NC(=O)Nc3ccc4c(O)c(/N=N/c5c(N)ccc6cc(S(=O)(=O)O)ccc56)c(S(=O)(=O)O)cc4c3)ccc2c1O
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| InChI |
InChI=1S/C38H29N7O13S3/c1-58-30-5-3-2-4-29(30)42-44-34-31(60(52,53)54)17-20-14-22(7-10-26(20)36(34)46)40-38(48)41-23-8-11-27-21(15-23)18-32(61(55,56)57)35(37(27)47)45-43-33-25-12-9-24(59(49,50)51)16-19(25)6-13-28(33)39/h2-18,46-47H,39H2,1H3,(H2,40,41,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)/b44-42+,45-43+
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| InChIKey |
FUQRIISLSITXHV-NIOMPGPNSA-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