General Information of the Compound
| Compound ID |
CP0409126
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| Compound Name |
[(1R,2S,5S,6S,7S)-3-benzyl-2-(4-bromophenyl)-7-(diethylamino)-3-azabicyclo[3.2.0]heptan-6-yl]methanol
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| Structure |
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| Formula |
C24H31BrN2O
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| Molecular Weight |
443.429
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| Canonical SMILES |
CCN(CC)[C@@H]1[C@@H](CO)[C@H]2CN(Cc3ccccc3)[C@@H]([C@@H]12)c1ccc(Br)cc1
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| InChI |
InChI=1S/C24H31BrN2O/c1-3-26(4-2)24-21(16-28)20-15-27(14-17-8-6-5-7-9-17)23(22(20)24)18-10-12-19(25)13-11-18/h5-13,20-24,28H,3-4,14-16H2,1-2H3/t20-,21+,22+,23-,24-/m1/s1
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| InChIKey |
SHPCAECDGCBRNC-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