General Information of the Compound
| Compound ID |
CP0458244
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| Compound Name |
[(1R,2S,5R,6R,7R)-3-benzyl-7-(diethylamino)-2-methyl-3-azabicyclo[3.2.0]heptan-6-yl]methanol
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| Structure |
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| Formula |
C19H30N2O
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| Molecular Weight |
302.462
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| Canonical SMILES |
CCN(CC)[C@H]1[C@H](CO)[C@@H]2CN(Cc3ccccc3)[C@@H](C)[C@H]12
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| InChI |
InChI=1S/C19H30N2O/c1-4-20(5-2)19-17(13-22)16-12-21(14(3)18(16)19)11-15-9-7-6-8-10-15/h6-10,14,16-19,22H,4-5,11-13H2,1-3H3/t14-,16-,17+,18-,19-/m0/s1
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| InChIKey |
QGKCXGBLQBZVNB-UJCHZGTJSA-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: PT01195, D(1A) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor