General Information of the Compound
| Compound ID |
CP0868032
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| Compound Name |
4-hydroxy-7-[[[[5-hydroxy-6-[(2-methylphenyl)azo]-7-sulfo-2-naphth}{alenyl]-amino]carbonyl]amino]-3-[(6-sulfo-2-naphthalenyl)azo]
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| Formula |
C38H28N6O12S3
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| Molecular Weight |
856.873
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| Canonical SMILES |
Cc1ccccc1/N=N/c1c(S(=O)(=O)O)cc2cc(NC(=O)Nc3ccc4c(O)c(/N=N/c5ccc6cc(S(=O)(=O)O)ccc6c5)c(S(=O)(=O)O)cc4c3)ccc2c1O
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| InChI |
InChI=1S/C38H28N6O12S3/c1-20-4-2-3-5-31(20)42-44-35-33(59(54,55)56)19-24-16-26(10-13-30(24)37(35)46)40-38(47)39-25-9-12-29-23(15-25)18-32(58(51,52)53)34(36(29)45)43-41-27-8-6-22-17-28(57(48,49)50)11-7-21(22)14-27/h2-19,45-46H,1H3,(H2,39,40,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)/b43-41+,44-42+
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| InChIKey |
MTYFLWBSAJJYJS-CHQNLTHESA-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