General Information of the Compound
| Compound ID |
CP0420854
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| Compound Name |
(S)-1-Phenoxy-3-(4-phenoxy-piperidin-1-yl)-propan-2-ol
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| Structure |
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| Formula |
C20H25NO3
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| Molecular Weight |
327.424
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| Canonical SMILES |
O[C@H](COc1ccccc1)CN1CCC(CC1)Oc1ccccc1
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| InChI |
InChI=1S/C20H25NO3/c22-17(16-23-18-7-3-1-4-8-18)15-21-13-11-20(12-14-21)24-19-9-5-2-6-10-19/h1-10,17,20,22H,11-16H2/t17-/m0/s1
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| InChIKey |
AXPMHZJZVFNEBY-KRWDZBQOSA-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor