General Information of the Compound
| Compound ID |
CP0527043
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| Compound Name |
N-(2-adamantyl)-1-[(4-chloro-2-fluorophenyl)methyl]-N-methylpiperidin-4-amine
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| Structure |
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| Formula |
C23H32ClFN2
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| Molecular Weight |
390.974
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| Canonical SMILES |
CN(C1CCN(Cc2ccc(Cl)cc2F)CC1)C1C2CC3CC(C2)CC1C3
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| InChI |
InChI=1S/C23H32ClFN2/c1-26(23-18-9-15-8-16(11-18)12-19(23)10-15)21-4-6-27(7-5-21)14-17-2-3-20(24)13-22(17)25/h2-3,13,15-16,18-19,21,23H,4-12,14H2,1H3
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| InChIKey |
NVWURGSQNZROGE-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