General Information of the Compound
| Compound ID |
CP0466744
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| Compound Name |
N,N′-(13-oxo-3,6,9,17,20,23-hexaoxa-12,14-diazapentacosane-1,25-diyl)bis[(E)-N-(diaminomethylene)-3-(3,5-difluoro-4-(4-sulfamoylphenoxy)phenyl)-2-methylacrylamide]
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| Structure |
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| Formula |
C53H66F4N4O17S2
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| Molecular Weight |
1171.248
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| Canonical SMILES |
CCOC(=O)C(\C)=C\c1cc(F)c(Oc2ccc(cc2)S(=O)(=O)NCCOCCOCCOCCNC(=O)NCCOCCOCCOCCNS(=O)(=O)c2ccc(Oc3c(F)cc(\C=C(/C)C(=O)OCC)cc3F)cc2)c(F)c1
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| InChI |
InChI=1S/C53H66F4N4O17S2/c1-5-75-51(62)37(3)31-39-33-45(54)49(46(55)34-39)77-41-7-11-43(12-8-41)79(65,66)60-17-21-71-25-29-73-27-23-69-19-15-58-53(64)59-16-20-70-24-28-74-30-26-72-22-18-61-80(67,68)44-13-9-42(10-14-44)78-50-47(56)35-40(36-48(50)57)32-38(4)52(63)76-6-2/h7-14,31-36,60-61H,5-6,15-30H2,1-4H3,(H2,58,59,64)/b37-31+,38-32+
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| InChIKey |
QOGPWCOLNPEBJO-CBSZVXRSSA-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