General Information of the Compound
| Compound ID |
CP0467146
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| Compound Name |
2-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]-5-[[6-oxo-6-[2-[2-[2-[4-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperazin-1-yl]ethoxy]ethoxy]ethylamino]hexyl]sulfamoyl]benzenesulfonate
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| Synonyms |
CHEMBL220095
RR(17)PZ
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| Structure |
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| Formula |
C57H71N9O11S2
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| Molecular Weight |
1122.381
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| Canonical SMILES |
CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCCOCCOCCN3CCN(CC(=O)N4c5ccccc5C(=O)Nc5cccnc45)CC3)c3ccc(cc3oc2c1)=[N+](CC)CC
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| InChI |
InChI=1S/C57H71N9O11S2/c1-5-64(6-2)41-19-22-45-50(37-41)77-51-38-42(65(7-3)8-4)20-23-46(51)55(45)47-24-21-43(39-52(47)79(72,73)74)78(70,71)60-26-13-9-10-18-53(67)58-27-33-75-35-36-76-34-32-62-28-30-63(31-29-62)40-54(68)66-49-17-12-11-15-44(49)57(69)61-48-16-14-25-59-56(48)66/h11-12,14-17,19-25,37-39,60H,5-10,13,18,26-36,40H2,1-4H3,(H2-,58,61,67,69,72,73,74)
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| InChIKey |
ZILZAZLHMFYYBB-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
Clinical Information about the Compound