General Information of the Compound
| Compound ID |
CP0555872
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| Compound Name |
2,3-dichloro-N-methyl-4-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]benzenesulfonamide
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| Structure |
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| Formula |
C20H22Cl2N2O3S
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| Molecular Weight |
441.38
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| Canonical SMILES |
CNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3ccccc23)N2CCCC2)c(Cl)c1Cl
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| InChI |
InChI=1S/C20H22Cl2N2O3S/c1-23-28(25,26)17-9-8-16(18(21)19(17)22)27-20-14-7-3-2-6-13(14)12-15(20)24-10-4-5-11-24/h2-3,6-9,15,20,23H,4-5,10-12H2,1H3/t15-,20-/m0/s1
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| InChIKey |
XJCPDFYRBAAIQI-YWZLYKJASA-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