General Information of the Compound
| Compound ID |
CP0945606
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| Compound Name |
2-[3-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]propoxy]ethyl N-[2-[2-[2-[2-[[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]carbamate
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| Structure |
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| Formula |
C44H71Cl2N3O12S
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| Molecular Weight |
937.034
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| Canonical SMILES |
CCCCCCCCOCCOCCOCCOCCCOCCOC(=O)NCCOCCOCCOCCNS(=O)(=O)c1cccc([C@@H]2CN(C)Cc3c(Cl)cc(Cl)cc32)c1
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| InChI |
InChI=1S/C44H71Cl2N3O12S/c1-3-4-5-6-7-8-15-53-20-24-58-28-29-59-25-21-54-16-10-17-55-30-31-61-44(50)47-13-18-56-22-26-60-27-23-57-19-14-48-62(51,52)39-12-9-11-37(32-39)41-35-49(2)36-42-40(41)33-38(45)34-43(42)46/h9,11-12,32-34,41,48H,3-8,10,13-31,35-36H2,1-2H3,(H,47,50)/t41-/m0/s1
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| InChIKey |
KMMJDTYXNOAGLB-RWYGWLOXSA-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