General Information of the Compound
| Compound ID |
CP0915361
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| Compound Name |
4-amino-3-((4'-((1-amino-5-sulfonaphthalen-2-yl)diazenyl)biphenyl-4-yl)diazenyl)-5-hydroxy-6-((E)-phenyldiazenyl)naphthalene-2,7-disulfonic acid
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| Formula |
C38H28N8O10S3
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| Molecular Weight |
852.889
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| Canonical SMILES |
Nc1c(/N=N/c2ccc(-c3ccc(/N=N/c4c(S(=O)(=O)O)cc5cc(S(=O)(=O)O)c(/N=N/c6ccccc6)c(O)c5c4N)cc3)cc2)ccc2c(S(=O)(=O)O)cccc12
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| InChI |
InChI=1S/C38H28N8O10S3/c39-34-28-7-4-8-30(57(48,49)50)27(28)17-18-29(34)44-41-25-13-9-21(10-14-25)22-11-15-26(16-12-22)43-45-36-31(58(51,52)53)19-23-20-32(59(54,55)56)37(38(47)33(23)35(36)40)46-42-24-5-2-1-3-6-24/h1-20,47H,39-40H2,(H,48,49,50)(H,51,52,53)(H,54,55,56)/b44-41+,45-43+,46-42+
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| InChIKey |
QSFJQSAXHHUOHR-ILYQRIJGSA-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