General Information of the Compound
| Compound ID |
CP0452529
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| Compound Name |
N-(2-adamantylmethyl)-1-[(4-chloro-2-fluorophenyl)methyl]-N-methylpiperidin-4-amine
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| Structure |
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| Formula |
C24H34ClFN2
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| Molecular Weight |
405.001
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| Canonical SMILES |
CN(CC1C2CC3CC(C2)CC1C3)C1CCN(Cc2ccc(Cl)cc2F)CC1
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| InChI |
InChI=1S/C24H34ClFN2/c1-27(15-23-19-9-16-8-17(11-19)12-20(23)10-16)22-4-6-28(7-5-22)14-18-2-3-21(25)13-24(18)26/h2-3,13,16-17,19-20,22-23H,4-12,14-15H2,1H3
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| InChIKey |
QATIHAIANOCPNW-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