General Information of the Compound
| Compound ID |
CP0486992
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| Compound Name |
N-[1-[2-(2,5-dichlorophenoxy)ethyl]pyrrolidin-3-yl]-3,4-difluorobenzenesulfonamide
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| Structure |
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| Formula |
C18H18Cl2F2N2O3S
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| Molecular Weight |
451.322
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| Canonical SMILES |
Fc1ccc(cc1F)S(=O)(=O)NC1CCN(CCOc2cc(Cl)ccc2Cl)C1
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| InChI |
InChI=1S/C18H18Cl2F2N2O3S/c19-12-1-3-15(20)18(9-12)27-8-7-24-6-5-13(11-24)23-28(25,26)14-2-4-16(21)17(22)10-14/h1-4,9-10,13,23H,5-8,11H2
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| InChIKey |
NRMOTQGINKBFRC-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