General Information of the Compound
| Compound ID |
CP0894061
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| Compound Name |
3-((2,4-dimethylphenyl)diazenyl)-4-hydroxy-7-(3-(5-hydroxy-7-sulfo-6-((6-sulfonaphthalen-2-yl)diazenyl)naphthalen-2-yl)ureido)naphthalene-2-sulfonic acid
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| Formula |
C39H30N6O12S3
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| Molecular Weight |
870.9
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| Canonical SMILES |
Cc1ccc(/N=N/c2c(S(=O)(=O)O)cc3cc(NC(=O)Nc4ccc5c(O)c(/N=N/c6ccc7cc(S(=O)(=O)O)ccc7c6)c(S(=O)(=O)O)cc5c4)ccc3c2O)c(C)c1
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| InChI |
InChI=1S/C39H30N6O12S3/c1-20-3-12-32(21(2)13-20)43-45-36-34(60(55,56)57)19-25-16-27(8-11-31(25)38(36)47)41-39(48)40-26-7-10-30-24(15-26)18-33(59(52,53)54)35(37(30)46)44-42-28-6-4-23-17-29(58(49,50)51)9-5-22(23)14-28/h3-19,46-47H,1-2H3,(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 |
QGRHENJVFUVATO-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