General Information of the Compound
| Compound ID |
CP0559118
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| Compound Name |
US10272079, Compound 111
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| Structure |
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| Formula |
C39H55Cl2N3O6S
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| Molecular Weight |
764.857
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| Canonical SMILES |
CCCCCCCCOc1ccc(CNCCOCCOCCOCCNS(=O)(=O)c2cccc(c2)[C@@H]2CN(C)Cc3c(Cl)cc(Cl)cc23)cc1
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| InChI |
InChI=1S/C39H55Cl2N3O6S/c1-3-4-5-6-7-8-18-50-34-14-12-31(13-15-34)28-42-16-19-47-21-23-49-24-22-48-20-17-43-51(45,46)35-11-9-10-32(25-35)37-29-44(2)30-38-36(37)26-33(40)27-39(38)41/h9-15,25-27,37,42-43H,3-8,16-24,28-30H2,1-2H3/t37-/m0/s1
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| InChIKey |
QRTKBDJUJYUBAZ-QNGWXLTQSA-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