General Information of the Compound
| Compound ID |
CP0905809
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| Compound Name |
4-amino-6-((4'-((2-amino-8-hydroxy-6-sulfonaphthalen-1-yl)diazenyl)biphenyl-4-yl)diazenyl)-5-hydroxy-3-((E)-(4-nitrophenyl)diazenyl)naphthalene-2,7-disulfonic acid
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| Formula |
C38H27N9O13S3
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| Molecular Weight |
913.885
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| Canonical SMILES |
Nc1ccc2cc(S(=O)(=O)O)cc(O)c2c1/N=N/c1ccc(-c2ccc(/N=N/c3c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)c(/N=N/c5ccc([N+](=O)[O-])cc5)c(N)c4c3O)cc2)cc1
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| InChI |
InChI=1S/C38H27N9O13S3/c39-28-14-5-21-15-27(61(52,53)54)18-29(48)32(21)35(28)44-41-23-6-1-19(2-7-23)20-3-8-24(9-4-20)43-46-37-31(63(58,59)60)17-22-16-30(62(55,56)57)36(34(40)33(22)38(37)49)45-42-25-10-12-26(13-11-25)47(50)51/h1-18,48-49H,39-40H2,(H,52,53,54)(H,55,56,57)(H,58,59,60)/b44-41+,45-42+,46-43+
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| InChIKey |
MUGJLOWWFNUDLJ-YLAOTLCCSA-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