General Information of the Compound
| Compound ID |
CP0902365
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| Compound Name |
4-amino-6-((4'-((2,4-diamino-3-methyl-6-sulfophenyl)diazenyl)biphenyl-4-yl)diazenyl)-5-hydroxy-3-((3-nitrophenyl)diazenyl)naphthalene-2,7-disulfonic acid
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| Formula |
C35H28N10O12S3
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| Molecular Weight |
876.868
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| Canonical SMILES |
Cc1c(N)cc(S(=O)(=O)O)c(/N=N/c2ccc(-c3ccc(/N=N/c4c(S(=O)(=O)O)cc5cc(S(=O)(=O)O)c(/N=N/c6cccc([N+](=O)[O-])c6)c(N)c5c4O)cc3)cc2)c1N
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| InChI |
InChI=1S/C35H28N10O12S3/c1-17-25(36)16-28(60(55,56)57)32(30(17)37)42-39-21-9-5-18(6-10-21)19-7-11-22(12-8-19)40-44-34-27(59(52,53)54)14-20-13-26(58(49,50)51)33(31(38)29(20)35(34)46)43-41-23-3-2-4-24(15-23)45(47)48/h2-16,46H,36-38H2,1H3,(H,49,50,51)(H,52,53,54)(H,55,56,57)/b42-39+,43-41+,44-40+
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| InChIKey |
HRVSCFOKFSAUDX-AUVAVNHBSA-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