General Information of the Compound
| Compound ID |
CP0902137
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| Compound Name |
5-benzamido-4-hydroxy-3-((4-(6-sulfonaphthalen-2-ylcarbamoyl)phenyl)diazenyl)naphthalene-2,7-disulfonic acid
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| Formula |
C34H24N4O12S3
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| Molecular Weight |
776.783
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| Canonical SMILES |
O=C(Nc1ccc2cc(S(=O)(=O)O)ccc2c1)c1ccc(/N=N/c2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(NC(=O)c4ccccc4)c3c2O)cc1
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| InChI |
InChI=1S/C34H24N4O12S3/c39-32-30-23(16-27(52(45,46)47)18-28(30)36-34(41)19-4-2-1-3-5-19)17-29(53(48,49)50)31(32)38-37-24-10-6-20(7-11-24)33(40)35-25-12-8-22-15-26(51(42,43)44)13-9-21(22)14-25/h1-18,39H,(H,35,40)(H,36,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)/b38-37+
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| InChIKey |
IOFNDTWKUMAFOH-HEFFKOSUSA-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