General Information of the Compound
| Compound ID |
CP0102038
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| Compound Name |
2-(1-cyclobutylpiperidin-4-yl)-6-(1-cyclobutylpiperidin-4-yl)oxy-3,4-dihydroisoquinolin-1-one
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| Structure |
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| Formula |
C27H39N3O2
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| Molecular Weight |
437.628
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| Canonical SMILES |
O=C1N(CCc2cc(OC3CCN(CC3)C3CCC3)ccc12)C1CCN(CC1)C1CCC1
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| InChI |
InChI=1S/C27H39N3O2/c31-27-26-8-7-25(32-24-12-16-29(17-13-24)22-5-2-6-22)19-20(26)9-18-30(27)23-10-14-28(15-11-23)21-3-1-4-21/h7-8,19,21-24H,1-6,9-18H2
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| InChIKey |
WGGOOXADDFSJLX-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