General Information of the Compound
| Compound ID |
CP0915943
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| Compound Name |
3-((4-amino-5-methoxy-2-methylphenyl)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 |
C39H31N7O13S3
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| Molecular Weight |
901.914
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| Canonical SMILES |
COc1cc(/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)cc1N
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| InChI |
InChI=1S/C39H31N7O13S3/c1-19-11-30(40)32(59-2)18-31(19)44-46-36-34(62(56,57)58)17-23-14-25(7-10-29(23)38(36)48)42-39(49)41-24-6-9-28-22(13-24)16-33(61(53,54)55)35(37(28)47)45-43-26-5-3-21-15-27(60(50,51)52)8-4-20(21)12-26/h3-18,47-48H,40H2,1-2H3,(H2,41,42,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)/b45-43+,46-44+
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| InChIKey |
IUSHCCKGKYIOGJ-MWOVFPFUSA-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