General Information of the Compound
| Compound ID |
CP0532823
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| Compound Name |
N-(3-chlorophenyl)-4-(3-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-amine
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| Structure |
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| Formula |
C20H20ClFN4O2S
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| Molecular Weight |
434.924
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| Canonical SMILES |
Cn1cnc(c1)S(=O)(=O)N1CC(Nc2cccc(Cl)c2)C(C1)c1cccc(F)c1
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| InChI |
InChI=1S/C20H20ClFN4O2S/c1-25-12-20(23-13-25)29(27,28)26-10-18(14-4-2-6-16(22)8-14)19(11-26)24-17-7-3-5-15(21)9-17/h2-9,12-13,18-19,24H,10-11H2,1H3
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| InChIKey |
IURCBZDASMYZAD-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