General Information of the Compound
| Compound ID |
CP0456064
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| Compound Name |
5-(4-methoxyphenyl)-2-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethynyl]pyridine
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| Structure |
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| Formula |
C26H26N2O2
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| Molecular Weight |
398.506
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| Canonical SMILES |
COc1ccc(cc1)-c1ccc(nc1)C#Cc1ccc(OCCN2CCCC2)cc1
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| InChI |
InChI=1S/C26H26N2O2/c1-29-25-14-8-22(9-15-25)23-7-11-24(27-20-23)10-4-21-5-12-26(13-6-21)30-19-18-28-16-2-3-17-28/h5-9,11-15,20H,2-3,16-19H2,1H3
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| InChIKey |
KUOOWLDSXMFMSM-UHFFFAOYSA-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