General Information of the Compound
| Compound ID |
CP0560831
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| Compound Name |
US10272079, Compound 102
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| Structure |
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| Formula |
C43H69Cl2N3O12S
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| Molecular Weight |
923.007
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| Canonical SMILES |
CCCCCCCCOCCOCCOCCOCCOCCOC(=O)NCCOCCOCCOCCNS(=O)(=O)c1cccc(c1)[C@@H]1CN(C)Cc2c(Cl)cc(Cl)cc12
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| InChI |
InChI=1S/C43H69Cl2N3O12S/c1-3-4-5-6-7-8-14-52-17-20-55-23-24-57-25-26-58-27-28-59-29-30-60-43(49)46-12-15-53-18-21-56-22-19-54-16-13-47-61(50,51)38-11-9-10-36(31-38)40-34-48(2)35-41-39(40)32-37(44)33-42(41)45/h9-11,31-33,40,47H,3-8,12-30,34-35H2,1-2H3,(H,46,49)/t40-/m0/s1
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| InChIKey |
VOLGELITSVMUAE-FAIXQHPJSA-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