General Information of the Compound
| Compound ID |
CP0527044
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| Compound Name |
1-[(4-chloro-2-fluorophenyl)methyl]-N-(5,7-dimethyl-2-adamantyl)piperidin-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 |
CC12CC3CC(C)(CC(C1)C3NC1CCN(Cc3ccc(Cl)cc3F)CC1)C2
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| InChI |
InChI=1S/C24H34ClFN2/c1-23-10-17-12-24(2,15-23)13-18(11-23)22(17)27-20-5-7-28(8-6-20)14-16-3-4-19(25)9-21(16)26/h3-4,9,17-18,20,22,27H,5-8,10-15H2,1-2H3
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| InChIKey |
BGSDICWSHGFKQU-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