General Information of the Compound
| Compound ID |
CP0527391
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| Compound Name |
5-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-3-quinolin-2-yl-1,2,4-oxadiazole
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| Structure |
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| Formula |
C23H21ClN4O
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| Molecular Weight |
404.901
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| Canonical SMILES |
Clc1ccccc1CN1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
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| InChI |
InChI=1S/C23H21ClN4O/c24-19-7-3-1-6-18(19)15-28-13-11-17(12-14-28)23-26-22(27-29-23)21-10-9-16-5-2-4-8-20(16)25-21/h1-10,17H,11-15H2
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| InChIKey |
DFMPQHCLSBPRFQ-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