General Information of the Compound
| Compound ID |
CP0563635
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| Compound Name |
5-(4-chlorophenyl)-2-[2-[2-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethynyl]pyridine
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| Structure |
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| Formula |
C25H22Cl2N2O
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| Molecular Weight |
437.37
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| Canonical SMILES |
Clc1ccc(cc1)-c1ccc(nc1)C#Cc1ccc(OCCN2CCCC2)cc1Cl
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| InChI |
InChI=1S/C25H22Cl2N2O/c26-22-8-3-19(4-9-22)21-6-11-23(28-18-21)10-5-20-7-12-24(17-25(20)27)30-16-15-29-13-1-2-14-29/h3-4,6-9,11-12,17-18H,1-2,13-16H2
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| InChIKey |
SRNLTPAVSSQHFA-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