General Information of the Compound
| Compound ID |
CP0958715
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| Compound Name |
(R)-2-(1-(1-benzylpiperidin-4-yl)propyl)-5-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3-methyl-6,7-dihydrothieno[3,2-c]pyridin-4(5H)-one
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| Structure |
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| Formula |
C31H39N3O2S
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| Molecular Weight |
517.739
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| Canonical SMILES |
CC[C@@H](c1sc2c(c1C)C(=O)N(Cc1c(C)cc(C)[nH]c1=O)CC2)C1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C31H39N3O2S/c1-5-25(24-11-14-33(15-12-24)18-23-9-7-6-8-10-23)29-22(4)28-27(37-29)13-16-34(31(28)36)19-26-20(2)17-21(3)32-30(26)35/h6-10,17,24-25H,5,11-16,18-19H2,1-4H3,(H,32,35)/t25-/m1/s1
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| InChIKey |
BGCMSTKBIZEKJL-RUZDIDTESA-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