General Information of the Compound
| Compound ID |
CP0906072
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| Compound Name |
(R)-(4-((4-ethoxyphenyl)ethynyl)phenyl)(3-(hydroxymethyl)piperidin-1-yl)methanone
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| Structure |
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| Formula |
C23H25NO3
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| Molecular Weight |
363.457
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| Canonical SMILES |
CCOc1ccc(C#Cc2ccc(C(=O)N3CCC[C@@H](CO)C3)cc2)cc1
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| InChI |
InChI=1S/C23H25NO3/c1-2-27-22-13-9-19(10-14-22)6-5-18-7-11-21(12-8-18)23(26)24-15-3-4-20(16-24)17-25/h7-14,20,25H,2-4,15-17H2,1H3/t20-/m1/s1
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| InChIKey |
KCWQSKXAOJMIBZ-HXUWFJFHSA-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