General Information of the Compound
| Compound ID |
CP0874305
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| Compound Name |
4-amino-6-((4'-((7-amino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl)biphenyl-4-yl)diazenyl)-5-hydroxy-3-((3-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)c(/N=N/c3ccc(-c4ccc(/N=N/c5c(S(=O)(=O)O)cc6cc(S(=O)(=O)O)c(/N=N/c7cccc([N+](=O)[O-])c7)c(N)c6c5O)cc4)cc3)c(O)c2c1
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| InChI |
InChI=1S/C38H27N9O13S3/c39-23-9-4-21-14-30(62(55,56)57)35(37(48)28(21)17-23)45-41-24-10-5-19(6-11-24)20-7-12-25(13-8-20)42-46-36-31(63(58,59)60)16-22-15-29(61(52,53)54)34(33(40)32(22)38(36)49)44-43-26-2-1-3-27(18-26)47(50)51/h1-18,48-49H,39-40H2,(H,52,53,54)(H,55,56,57)(H,58,59,60)/b44-43+,45-41+,46-42+
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| InChIKey |
FBKLHMYQPLSMLU-BRGNACHZSA-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