General Information of the Compound
| Compound ID |
CP0877305
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| Compound Name |
2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[2-[[3-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethylamino]-2-oxo-ethyl]amino]-N-[2-[2-[2-[[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethyl]acetamide
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| Structure |
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| Formula |
C56H78Cl4N8O13S2
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| Molecular Weight |
1277.229
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| Canonical SMILES |
CN1Cc2c(Cl)cc(Cl)cc2[C@@H](c2cccc(S(=O)(=O)NCCOCCOCCNC(=O)CN(CCOCCOCCOCCN)CC(=O)NCCOCCOCCNS(=O)(=O)c3cccc([C@@H]4CN(C)Cc5c(Cl)cc(Cl)cc54)c3)c2)C1
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| InChI |
InChI=1S/C56H78Cl4N8O13S2/c1-66-35-49(47-31-43(57)33-53(59)51(47)37-66)41-5-3-7-45(29-41)82(71,72)64-12-18-78-24-22-76-16-10-62-55(69)39-68(14-20-80-26-28-81-27-21-75-15-9-61)40-56(70)63-11-17-77-23-25-79-19-13-65-83(73,74)46-8-4-6-42(30-46)50-36-67(2)38-52-48(50)32-44(58)34-54(52)60/h3-8,29-34,49-50,64-65H,9-28,35-40,61H2,1-2H3,(H,62,69)(H,63,70)/t49-,50+
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| InChIKey |
JQCYSTFMXKEZOP-DKSDCYBHSA-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