General Information of the Compound
| Compound ID |
CP0428187
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| Compound Name |
N-[2-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-oxoethoxy]ethyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide
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| Structure |
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| Formula |
C22H38N4O5S
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| Molecular Weight |
470.636
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| Canonical SMILES |
COc1cc(C)c(c(C)c1)S(=O)(=O)N(C)CCOCC(=O)N1CCN(CCN(C)C)CC1
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| InChI |
InChI=1S/C22H38N4O5S/c1-18-15-20(30-6)16-19(2)22(18)32(28,29)24(5)13-14-31-17-21(27)26-11-9-25(10-12-26)8-7-23(3)4/h15-16H,7-14,17H2,1-6H3
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| InChIKey |
HOXXRKQMVOCXQH-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