General Information of the Compound
| Compound ID |
CP0559143
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| Compound Name |
(E)-3-(4-(4-(N-(20-amino-3,6,9,12,15,18-hexaoxaicosyl)sulfamoyl)phenoxy)-3,5-difluorophenyl)-N-(diaminomethylene)-2-methylacrylamide
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| Structure |
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| Formula |
C31H45F2N5O10S
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| Molecular Weight |
717.789
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| Canonical SMILES |
C\C(=C/c1cc(F)c(Oc2ccc(cc2)S(=O)(=O)NCCOCCOCCOCCOCCOCCOCCN)c(F)c1)C(=O)N=C(N)N
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| InChI |
InChI=1S/C31H45F2N5O10S/c1-23(30(39)38-31(35)36)20-24-21-27(32)29(28(33)22-24)48-25-2-4-26(5-3-25)49(40,41)37-7-9-43-11-13-45-15-17-47-19-18-46-16-14-44-12-10-42-8-6-34/h2-5,20-22,37H,6-19,34H2,1H3,(H4,35,36,38,39)/b23-20+
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| InChIKey |
VQSATWNLRLVRSM-BSYVCWPDSA-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