General Information of the Compound
| Compound ID |
CP0423854
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| Compound Name |
[(1R,2S,5S,6S,7S)-3-benzyl-2-phenyl-7-piperidin-1-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol
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| Structure |
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| Formula |
C25H32N2O
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| Molecular Weight |
376.544
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| Canonical SMILES |
OC[C@H]1[C@H]2CN(Cc3ccccc3)[C@@H]([C@H]2[C@@H]1N1CCCCC1)c1ccccc1
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| InChI |
InChI=1S/C25H32N2O/c28-18-22-21-17-27(16-19-10-4-1-5-11-19)24(20-12-6-2-7-13-20)23(21)25(22)26-14-8-3-9-15-26/h1-2,4-7,10-13,21-25,28H,3,8-9,14-18H2/t21-,22+,23+,24-,25-/m1/s1
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| InChIKey |
ZYXIICVCCTVXCC-ZLOLNMDISA-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