General Information of the Compound
| Compound ID |
CP0409127
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| Compound Name |
[(1R,2S,5S,6S,7S)-3-benzyl-7-(diethylamino)-2-pyridin-2-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol
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| Structure |
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| Formula |
C23H31N3O
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| Molecular Weight |
365.521
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| Canonical SMILES |
CCN(CC)[C@@H]1[C@@H](CO)[C@H]2CN(Cc3ccccc3)[C@@H]([C@@H]12)c1ccccn1
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| InChI |
InChI=1S/C23H31N3O/c1-3-25(4-2)22-19(16-27)18-15-26(14-17-10-6-5-7-11-17)23(21(18)22)20-12-8-9-13-24-20/h5-13,18-19,21-23,27H,3-4,14-16H2,1-2H3/t18-,19+,21-,22-,23-/m1/s1
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| InChIKey |
YXLCOBLTAWMMRS-ZDRNMDQLSA-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