General Information of the Compound
| Compound ID |
CP0860272
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| Compound Name |
(R)-(3-(hydroxymethyl)piperidin-1-yl)(4-((4-isopropoxyphenyl)ethynyl)phenyl)methanone
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| Structure |
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| Formula |
C24H27NO3
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| Molecular Weight |
377.484
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| Canonical SMILES |
CC(C)Oc1ccc(C#Cc2ccc(C(=O)N3CCC[C@@H](CO)C3)cc2)cc1
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| InChI |
InChI=1S/C24H27NO3/c1-18(2)28-23-13-9-20(10-14-23)6-5-19-7-11-22(12-8-19)24(27)25-15-3-4-21(16-25)17-26/h7-14,18,21,26H,3-4,15-17H2,1-2H3/t21-/m1/s1
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| InChIKey |
OBMQUTVCJBNGIH-OAQYLSRUSA-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