General Information of the Compound
| Compound ID |
CP0528244
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| Compound Name |
5-[1-(cyclohexylmethyl)piperidin-4-yl]-3-quinolin-2-yl-1,2,4-oxadiazole
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| Structure |
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| Formula |
C23H28N4O
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| Molecular Weight |
376.504
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| Canonical SMILES |
C(C1CCCCC1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
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| InChI |
InChI=1S/C23H28N4O/c1-2-6-17(7-3-1)16-27-14-12-19(13-15-27)23-25-22(26-28-23)21-11-10-18-8-4-5-9-20(18)24-21/h4-5,8-11,17,19H,1-3,6-7,12-16H2
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| InChIKey |
BWCISGZFKCVWPX-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