General Information of the Compound
| Compound ID |
CP0885834
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| Compound Name |
3-Hydroxy-4-(2-hydroxy-7-methoxy-naphthalen-1-ylazo)-naphthalene-1-sulfonic acid
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| Formula |
C21H16N2O6S
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| Molecular Weight |
424.434
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| Canonical SMILES |
COc1ccc2ccc(O)c(/N=N/c3c(O)cc(S(=O)(=O)O)c4ccccc34)c2c1
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| InChI |
InChI=1S/C21H16N2O6S/c1-29-13-8-6-12-7-9-17(24)21(16(12)10-13)23-22-20-15-5-3-2-4-14(15)19(11-18(20)25)30(26,27)28/h2-11,24-25H,1H3,(H,26,27,28)/b23-22+
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| InChIKey |
BFBMBVAXYVNQLH-GHVJWSGMSA-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