General Information of the Compound
| Compound ID |
CP0400724
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| Compound Name |
2-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]-5-[[6-[3-[(1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-yl]propylamino]-6-oxohexyl]sulfamoyl]benzenesulfonate
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| Structure |
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| Formula |
C55H68FN5O8S2
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| Molecular Weight |
1010.308
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| Canonical SMILES |
CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCCCc3ccc4c(CO[C@@]4(CCCN(C)C)c4ccc(F)cc4)c3)c3ccc(cc3oc2c1)=[N+](CC)CC
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| InChI |
InChI=1S/C55H68FN5O8S2/c1-7-60(8-2)43-23-26-46-50(35-43)69-51-36-44(61(9-3)10-4)24-27-47(51)54(46)48-28-25-45(37-52(48)71(65,66)67)70(63,64)58-32-13-11-12-17-53(62)57-31-14-16-39-18-29-49-40(34-39)38-68-55(49,30-15-33-59(5)6)41-19-21-42(56)22-20-41/h18-29,34-37,58H,7-17,30-33,38H2,1-6H3,(H-,57,62,65,66,67)/t55-/m0/s1
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| InChIKey |
OQGUIOWSTCLFME-GNFJTHHVSA-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