General Information of the Compound
| Compound ID |
CP0185405
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| Compound Name |
(4R)-4-[(1R)-1-[[6-(3,4-dimethoxyphenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]oxy]ethyl]pyrrolidin-2-one
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| Structure |
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| Formula |
C20H21N3O4S
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| Molecular Weight |
399.472
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| Canonical SMILES |
COc1ccc(cc1OC)-c1cc2ncsc2c(O[C@H](C)[C@H]2CNC(=O)C2)n1
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| InChI |
InChI=1S/C20H21N3O4S/c1-11(13-7-18(24)21-9-13)27-20-19-15(22-10-28-19)8-14(23-20)12-4-5-16(25-2)17(6-12)26-3/h4-6,8,10-11,13H,7,9H2,1-3H3,(H,21,24)/t11-,13-/m1/s1
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| InChIKey |
OTUKQYFHRKKGEI-DGCLKSJQSA-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