General Information of the Compound
| Compound ID |
CP0422644
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| Compound Name |
1-[(3R)-1-(2-bromophenyl)sulfonylpiperidin-3-yl]-4-(4-chlorophenyl)piperidin-4-ol
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| Structure |
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| Formula |
C22H26BrClN2O3S
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| Molecular Weight |
513.885
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| Canonical SMILES |
OC1(CCN(CC1)[C@@H]1CCCN(C1)S(=O)(=O)c1ccccc1Br)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C22H26BrClN2O3S/c23-20-5-1-2-6-21(20)30(28,29)26-13-3-4-19(16-26)25-14-11-22(27,12-15-25)17-7-9-18(24)10-8-17/h1-2,5-10,19,27H,3-4,11-16H2/t19-/m1/s1
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| InChIKey |
JPVHAVKNORERGG-LJQANCHMSA-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