General Information of the Compound
| Compound ID |
CP0566634
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| Compound Name |
[(3R)-3-quinolin-2-yloxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
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| Structure |
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| Formula |
C23H21N5O2
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| Molecular Weight |
399.454
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| Canonical SMILES |
O=C(N1CCC[C@H](C1)Oc1ccc2ccccc2n1)c1ccccc1-n1nccn1
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| InChI |
InChI=1S/C23H21N5O2/c29-23(19-8-2-4-10-21(19)28-24-13-14-25-28)27-15-5-7-18(16-27)30-22-12-11-17-6-1-3-9-20(17)26-22/h1-4,6,8-14,18H,5,7,15-16H2/t18-/m1/s1
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| InChIKey |
PEKUPYFYZBJFLN-GOSISDBHSA-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