General Information of the Compound
| Compound ID |
CP0514672
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| Compound Name |
(4aS,11bS)-4-propyl-2,3,4a,5,6,8,9,11b-octahydroisoindolo[5,6-h][1,4]benzoxazin-10-one
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| Structure |
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| Formula |
C17H22N2O2
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| Molecular Weight |
286.375
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| Canonical SMILES |
CCCN1CCO[C@@H]2[C@@H]1CCc1cc3CNC(=O)c3cc21
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| InChI |
InChI=1S/C17H22N2O2/c1-2-5-19-6-7-21-16-13-9-14-12(10-18-17(14)20)8-11(13)3-4-15(16)19/h8-9,15-16H,2-7,10H2,1H3,(H,18,20)/t15-,16-/m0/s1
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| InChIKey |
FTCVLHZRRJVLPD-HOTGVXAUSA-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