General Information of the Compound
| Compound ID |
CP0348940
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| Compound Name |
1-adamantyl(3,4-dihydro-1H-isoquinolin-2-yl)methanone
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| Structure |
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| Formula |
C20H25NO
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| Molecular Weight |
295.426
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| Canonical SMILES |
O=C(N1CCc2ccccc2C1)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C20H25NO/c22-19(21-6-5-17-3-1-2-4-18(17)13-21)20-10-14-7-15(11-20)9-16(8-14)12-20/h1-4,14-16H,5-13H2
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| InChIKey |
SRFWGMXCEYTASP-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