General Information of the Compound
| Compound ID |
CP0499778
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| Compound Name |
(3R)-3-[5-[(2-bromo-4,5-dimethoxyphenyl)sulfanylmethyl]-2-chlorophenoxy]-1-methylpyrrolidine
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| Structure |
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| Formula |
C20H23BrClNO3S
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| Molecular Weight |
472.832
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| Canonical SMILES |
COc1cc(Br)c(SCc2ccc(Cl)c(O[C@@H]3CCN(C)C3)c2)cc1OC
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| InChI |
InChI=1S/C20H23BrClNO3S/c1-23-7-6-14(11-23)26-17-8-13(4-5-16(17)22)12-27-20-10-19(25-3)18(24-2)9-15(20)21/h4-5,8-10,14H,6-7,11-12H2,1-3H3/t14-/m1/s1
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| InChIKey |
UWJMQPYXUQWRLA-CQSZACIVSA-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