General Information of the Compound
| Compound ID |
CP0431294
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| Compound Name |
(4aR,11bR)-4-(2-phenylethyl)-2,3,4a,5,6,8,9,11b-octahydro-[1]benzofuro[5,6-h][1,4]benzoxazine
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| Structure |
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| Formula |
C22H25NO2
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| Molecular Weight |
335.447
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| Canonical SMILES |
C(Cc1ccccc1)N1CCO[C@H]2[C@H]1CCc1cc3CCOc3cc21
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| InChI |
InChI=1S/C22H25NO2/c1-2-4-16(5-3-1)8-10-23-11-13-25-22-19-15-21-18(9-12-24-21)14-17(19)6-7-20(22)23/h1-5,14-15,20,22H,6-13H2/t20-,22-/m1/s1
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| InChIKey |
QYLNNWXQZBCWRI-IFMALSPDSA-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor