General Information of the Compound
| Compound ID |
CP0495864
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| Compound Name |
6-amino-5-[(E)-2-(4-{[4-({4-[(E)-2-(2-amino-8-hydroxy-6-sulfonaphthalen-1-yl)diazen-1-yl]-3-sulfophenyl}carbamoyl)benzene]amido}-2-sulfophenyl)diazen-1-yl]-4-hydroxynaphthalene-2-sulfonic acid
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| Formula |
C40H30N8O16S4
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| Molecular Weight |
1006.988
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| Canonical SMILES |
Nc1ccc2cc(cc(O)c2c1\N=N\c1ccc(NC(=O)c2ccc(cc2)C(=O)Nc2ccc(\N=N\c3c(N)ccc4cc(cc(O)c34)S(O)(=O)=O)c(c2)S(O)(=O)=O)cc1S(O)(=O)=O)S(O)(=O)=O
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| InChI |
InChI=1S/C40H30N8O16S4/c41-27-9-5-21-13-25(65(53,54)55)17-31(49)35(21)37(27)47-45-29-11-7-23(15-33(29)67(59,60)61)43-39(51)19-1-2-20(4-3-19)40(52)44-24-8-12-30(34(16-24)68(62,63)64)46-48-38-28(42)10-6-22-14-26(66(56,57)58)18-32(50)36(22)38/h1-18,49-50H,41-42H2,(H,43,51)(H,44,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)/b47-45+,48-46+
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| InChIKey |
VWOMNDOZUSIURK-MLGMXDONSA-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