General Information of the Compound
| Compound ID |
CP0381666
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| Compound Name |
N-(2-adamantyl)-1-[(4-chlorophenyl)methyl]piperidin-4-amine
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| Structure |
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| Formula |
C22H31ClN2
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| Molecular Weight |
358.957
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| Canonical SMILES |
Clc1ccc(CN2CCC(CC2)NC2C3CC4CC(C3)CC2C4)cc1
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| InChI |
InChI=1S/C22H31ClN2/c23-20-3-1-15(2-4-20)14-25-7-5-21(6-8-25)24-22-18-10-16-9-17(12-18)13-19(22)11-16/h1-4,16-19,21-22,24H,5-14H2
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| InChIKey |
RZZAHLLQLSKGSP-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