General Information of the Compound
| Compound ID |
CP0952560
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| Compound Name |
(R)-5-(1-(1-((5-chloropyridin-2-yl)methyl)piperidin-4-yl)propyl)-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-4-methylthiophene-3-carboxamide
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| Structure |
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| Formula |
C28H35ClN4O2S
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| Molecular Weight |
527.134
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| Canonical SMILES |
CC[C@@H](c1scc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCN(Cc2ccc(Cl)cn2)CC1
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| InChI |
InChI=1S/C28H35ClN4O2S/c1-5-23(20-8-10-33(11-9-20)15-22-7-6-21(29)13-30-22)26-19(4)25(16-36-26)27(34)31-14-24-17(2)12-18(3)32-28(24)35/h6-7,12-13,16,20,23H,5,8-11,14-15H2,1-4H3,(H,31,34)(H,32,35)/t23-/m1/s1
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| InChIKey |
ZNUKSAXUSBHTOA-HSZRJFAPSA-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