General Information of the Compound
| Compound ID |
CP0494763
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| Compound Name |
5-(4-chlorophenyl)-2-[2-[4-(2-pyrrolidin-1-ylethyl)phenyl]ethynyl]pyridine
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| Structure |
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| Formula |
C25H23ClN2
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| Molecular Weight |
386.926
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| Canonical SMILES |
Clc1ccc(cc1)-c1ccc(nc1)C#Cc1ccc(CCN2CCCC2)cc1
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| InChI |
InChI=1S/C25H23ClN2/c26-24-11-8-22(9-12-24)23-10-14-25(27-19-23)13-7-20-3-5-21(6-4-20)15-18-28-16-1-2-17-28/h3-6,8-12,14,19H,1-2,15-18H2
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| InChIKey |
RQHJKKSVDCOQQQ-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