General Information of the Compound
| Compound ID |
CP0434870
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| Compound Name |
US10272079, Compound 92
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| Structure |
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| Formula |
C35H53Cl2N3O6S
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| Molecular Weight |
714.797
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| Canonical SMILES |
CCCCCCCCCCC(=O)NCCOCCOCCOCCNS(=O)(=O)c1cccc(c1)[C@@H]1CN(C)Cc2c(Cl)cc(Cl)cc12
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| InChI |
InChI=1S/C35H53Cl2N3O6S/c1-3-4-5-6-7-8-9-10-14-35(41)38-15-17-44-19-21-46-22-20-45-18-16-39-47(42,43)30-13-11-12-28(23-30)32-26-40(2)27-33-31(32)24-29(36)25-34(33)37/h11-13,23-25,32,39H,3-10,14-22,26-27H2,1-2H3,(H,38,41)/t32-/m0/s1
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| InChIKey |
BJWNEJURDGTYQL-YTTGMZPUSA-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