General Information of the Compound
| Compound ID |
CP0919492
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| Compound Name |
7-phenyl-5,9-bis(phenylamino)-4,10-disulfobenzo[a]phenazin-7-ium
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| Structure |
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| Formula |
C34H24N4O6S2
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| Molecular Weight |
648.722
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| Canonical SMILES |
O=S(=O)([O-])c1cccc2c1c(Nc1ccccc1)cc1c2nc2cc(S(=O)(=O)O)c(Nc3ccccc3)cc2[n+]1-c1ccccc1
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| InChI |
InChI=1S/C34H24N4O6S2/c39-45(40,41)31-18-10-17-25-33(31)28(36-23-13-6-2-7-14-23)20-30-34(25)37-26-21-32(46(42,43)44)27(35-22-11-4-1-5-12-22)19-29(26)38(30)24-15-8-3-9-16-24/h1-21H,(H3,35,36,39,40,41,42,43,44)
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| InChIKey |
VMLSIHQDUBKHRM-UHFFFAOYSA-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