General Information of the Compound
| Compound ID |
CP0457396
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| Compound Name |
[(2R)-2-[6-(3-chlorophenyl)-4-methylpyridin-3-yl]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone
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| Synonyms |
BDBM50349543
GTPL6407
PMID21757343C30
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| Structure |
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| Formula |
C20H18ClN3OS
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| Molecular Weight |
383.904
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| Canonical SMILES |
Cc1cc(ncc1[C@H]1CCCN1C(=O)c1nccs1)-c1cccc(Cl)c1
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| InChI |
InChI=1S/C20H18ClN3OS/c1-13-10-17(14-4-2-5-15(21)11-14)23-12-16(13)18-6-3-8-24(18)20(25)19-22-7-9-26-19/h2,4-5,7,9-12,18H,3,6,8H2,1H3/t18-/m1/s1
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| InChIKey |
GCSDBTCZHROCLZ-GOSISDBHSA-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
Clinical Information about the Compound