General Information of the Compound
| Compound ID |
CP0860271
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| Compound Name |
(R)-(3-(hydroxymethyl)piperidin-1-yl)(4-((6-methoxypyridin-3-yl)ethynyl)phenyl)methanone
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| Structure |
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| Formula |
C21H22N2O3
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| Molecular Weight |
350.418
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| Canonical SMILES |
COc1ccc(C#Cc2ccc(C(=O)N3CCC[C@@H](CO)C3)cc2)cn1
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| InChI |
InChI=1S/C21H22N2O3/c1-26-20-11-8-17(13-22-20)5-4-16-6-9-19(10-7-16)21(25)23-12-2-3-18(14-23)15-24/h6-11,13,18,24H,2-3,12,14-15H2,1H3/t18-/m1/s1
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| InChIKey |
XTTWDEQGGXWVTH-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