General Information of the Compound
| Compound ID |
CP0530329
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| Compound Name |
5-(4-chlorophenyl)-2-[2-[6-(2-pyrrolidin-1-ylethoxy)pyridin-3-yl]ethynyl]pyridine
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| Structure |
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| Formula |
C24H22ClN3O
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| Molecular Weight |
403.913
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| Canonical SMILES |
Clc1ccc(cc1)-c1ccc(nc1)C#Cc1ccc(OCCN2CCCC2)nc1
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| InChI |
InChI=1S/C24H22ClN3O/c25-22-8-5-20(6-9-22)21-7-11-23(26-18-21)10-3-19-4-12-24(27-17-19)29-16-15-28-13-1-2-14-28/h4-9,11-12,17-18H,1-2,13-16H2
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| InChIKey |
RHXDZQVXANGHQR-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