General Information of the Compound
| Compound ID |
CP0483554
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| Compound Name |
5-(5-carboxypentylsulfamoyl)-2-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate
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| Structure |
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| Formula |
C33H43N3O7S2
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| Molecular Weight |
657.855
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| Canonical SMILES |
CCN(CC)c1ccc(cc1)[C+](c1ccc(cc1)N(CC)CC)c1ccc(cc1S([O-])(=O)=O)S(=O)(=O)NCCCCCC(O)=O
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| InChI |
InChI=1S/C33H43N3O7S2/c1-5-35(6-2)27-17-13-25(14-18-27)33(26-15-19-28(20-16-26)36(7-3)8-4)30-22-21-29(24-31(30)45(41,42)43)44(39,40)34-23-11-9-10-12-32(37)38/h13-22,24,34H,5-12,23H2,1-4H3,(H-,37,38,41,42,43)
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| InChIKey |
WEWWAPHTMPOHFT-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