General Information of the Compound
| Compound ID |
CP0475616
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| Compound Name |
[(1R,2S,5S,6S,7S)-3-benzyl-7-(diethylamino)-2-phenyl-3-azabicyclo[3.2.0]heptan-6-yl]methanol
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| Structure |
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| Formula |
C24H32N2O
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| Molecular Weight |
364.533
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| Canonical SMILES |
CCN(CC)[C@@H]1[C@@H](CO)[C@H]2CN(Cc3ccccc3)[C@@H]([C@@H]12)c1ccccc1
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| InChI |
InChI=1S/C24H32N2O/c1-3-25(4-2)24-21(17-27)20-16-26(15-18-11-7-5-8-12-18)23(22(20)24)19-13-9-6-10-14-19/h5-14,20-24,27H,3-4,15-17H2,1-2H3/t20-,21+,22+,23-,24-/m1/s1
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| InChIKey |
SEVLDDAIFKZMCD-OYTPZHDJSA-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