General Information of the Compound
| Compound ID |
CP0402197
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| Compound Name |
(4aR,11bR)-4-benzyl-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 |
C21H23NO2
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| Molecular Weight |
321.42
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| Canonical SMILES |
C(N1CCO[C@H]2[C@H]1CCc1cc3CCOc3cc21)c1ccccc1
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| InChI |
InChI=1S/C21H23NO2/c1-2-4-15(5-3-1)14-22-9-11-24-21-18-13-20-17(8-10-23-20)12-16(18)6-7-19(21)22/h1-5,12-13,19,21H,6-11,14H2/t19-,21-/m1/s1
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| InChIKey |
SICOIFQUDDUKOV-TZIWHRDSSA-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