General Information of the Compound
| Compound ID |
CP0505323
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| Compound Name |
[2-[6-(3-chlorophenyl)-4-methylpyridin-3-yl]-4-hydroxypyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone
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| Structure |
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| Formula |
C20H18ClN3O2S
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| Molecular Weight |
399.903
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| Canonical SMILES |
Cc1cc(ncc1C1CC(O)CN1C(=O)c1nccs1)-c1cccc(Cl)c1
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| InChI |
InChI=1S/C20H18ClN3O2S/c1-12-7-17(13-3-2-4-14(21)8-13)23-10-16(12)18-9-15(25)11-24(18)20(26)19-22-5-6-27-19/h2-8,10,15,18,25H,9,11H2,1H3
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| InChIKey |
XNSZTLNSVWTRSI-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