General Information of the Compound
| Compound ID |
CP0534574
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| Compound Name |
5-(4-chlorophenyl)-2-[2-[4-(3-pyrrolidin-1-ylpropyl)phenyl]ethynyl]pyridine
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| Structure |
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| Formula |
C26H25ClN2
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| Molecular Weight |
400.953
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| Canonical SMILES |
Clc1ccc(cc1)-c1ccc(nc1)C#Cc1ccc(CCCN2CCCC2)cc1
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| InChI |
InChI=1S/C26H25ClN2/c27-25-13-10-23(11-14-25)24-12-16-26(28-20-24)15-9-22-7-5-21(6-8-22)4-3-19-29-17-1-2-18-29/h5-8,10-14,16,20H,1-4,17-19H2
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| InChIKey |
QIRUDCQCSHJWKR-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