General Information of the Compound
| Compound ID |
CP0231441
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| Compound Name |
6-[(3S)-1-benzylpiperidin-3-yl]oxyisoquinoline
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| Structure |
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| Formula |
C21H22N2O
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| Molecular Weight |
318.42
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| Canonical SMILES |
C(N1CCC[C@@H](C1)Oc1ccc2cnccc2c1)c1ccccc1
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| InChI |
InChI=1S/C21H22N2O/c1-2-5-17(6-3-1)15-23-12-4-7-21(16-23)24-20-9-8-19-14-22-11-10-18(19)13-20/h1-3,5-6,8-11,13-14,21H,4,7,12,15-16H2/t21-/m0/s1
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| InChIKey |
AKUKFSSRYRAGER-NRFANRHFSA-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