General Information of the Compound
| Compound ID |
CP0439405
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| Compound Name |
1-[(4-chloro-2-fluorophenyl)methyl]-N-[[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methyl]piperidin-4-amine
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| Structure |
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| Formula |
C23H34ClFN2
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| Molecular Weight |
392.99
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| Canonical SMILES |
CC1(C)C2CC[C@@]1(C)C(CNC1CCN(Cc3ccc(Cl)cc3F)CC1)C2
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| InChI |
InChI=1S/C23H34ClFN2/c1-22(2)17-6-9-23(22,3)18(12-17)14-26-20-7-10-27(11-8-20)15-16-4-5-19(24)13-21(16)25/h4-5,13,17-18,20,26H,6-12,14-15H2,1-3H3/t17?,18?,23-/m0/s1
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| InChIKey |
ZQCZECKVRKCYBE-KXXGJQBSSA-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