General Information of the Compound
| Compound ID |
CP0094971
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| Compound Name |
(1S,5R)-3-(4-chlorophenyl)-8-[4-(4-fluorophenyl)butyl]-8-azabicyclo[3.2.1]octan-3-ol
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| Structure |
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| Formula |
C23H27ClFNO
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| Molecular Weight |
387.926
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| Canonical SMILES |
OC1(C[C@@H]2CC[C@H](C1)N2CCCCc1ccc(F)cc1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C23H27ClFNO/c24-19-8-6-18(7-9-19)23(27)15-21-12-13-22(16-23)26(21)14-2-1-3-17-4-10-20(25)11-5-17/h4-11,21-22,27H,1-3,12-16H2/t21-,22+,23?
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| InChIKey |
SFPSQBFPUCFLEZ-AIZNXBIQSA-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
Protein ID: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01005, D(2) dopamine receptor