General Information of the Compound
| Compound ID |
CP0573165
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| Compound Name |
3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-N-[2-[2-[2-[[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethyl]benzenesulfonamide
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| Structure |
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| Formula |
C38H42Cl4N4O6S2
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| Molecular Weight |
856.722
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| Canonical SMILES |
CN1CC(c2cccc(c2)S(=O)(=O)NCCOCCOCCNS(=O)(=O)c2cccc(c2)C2CN(C)Cc3c(Cl)cc(Cl)cc23)c2cc(Cl)cc(Cl)c2C1
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| InChI |
InChI=1S/C38H42Cl4N4O6S2/c1-45-21-33(31-17-27(39)19-37(41)35(31)23-45)25-5-3-7-29(15-25)53(47,48)43-9-11-51-13-14-52-12-10-44-54(49,50)30-8-4-6-26(16-30)34-22-46(2)24-36-32(34)18-28(40)20-38(36)42/h3-8,15-20,33-34,43-44H,9-14,21-24H2,1-2H3
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| InChIKey |
DKYDODGFZAGSCV-UHFFFAOYSA-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