General Information of the Compound
| Compound ID |
CP0853146
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| Compound Name |
(R)-3-((2-(1-(1-((2-methoxypyridin-4-yl)methyl)piperidin-4-yl)propyl)-3-methyl-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)methyl)-4,6-dimethylpyridin-2(1H)-one
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| Structure |
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| Formula |
C31H42N4O2S
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| Molecular Weight |
534.77
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| Canonical SMILES |
CC[C@@H](c1sc2c(c1C)CN(Cc1c(C)cc(C)[nH]c1=O)CC2)C1CCN(Cc2ccnc(OC)c2)CC1
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| InChI |
InChI=1S/C31H42N4O2S/c1-6-25(24-8-12-34(13-9-24)17-23-7-11-32-29(16-23)37-5)30-22(4)27-19-35(14-10-28(27)38-30)18-26-20(2)15-21(3)33-31(26)36/h7,11,15-16,24-25H,6,8-10,12-14,17-19H2,1-5H3,(H,33,36)/t25-/m1/s1
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| InChIKey |
OBJLOPVBHPOOCI-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