General Information of the Compound
| Compound ID |
CP0445450
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| Compound Name |
4-((1H-imidazol-2-yl)methyl)-1-(biphenyl-4-ylsulfonyl)piperidine
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| Structure |
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| Formula |
C21H23N3O2S
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| Molecular Weight |
381.501
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| Canonical SMILES |
O=S(=O)(N1CCC(Cc2ncc[nH]2)CC1)c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C21H23N3O2S/c25-27(26,20-8-6-19(7-9-20)18-4-2-1-3-5-18)24-14-10-17(11-15-24)16-21-22-12-13-23-21/h1-9,12-13,17H,10-11,14-16H2,(H,22,23)
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| InChIKey |
LBWFDQTYUROFHQ-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