General Information of the Compound
| Compound ID |
CP0389477
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| Compound Name |
(4aR,12bR)-4-propyl-3,4a,5,6,10,12b-hexahydro-2H-isoquinolino[6,7-h][1,4]benzoxazin-11-one
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| Structure |
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| Formula |
C18H22N2O2
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| Molecular Weight |
298.386
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| Canonical SMILES |
CCCN1CCO[C@H]2[C@H]1CCc1cc3cc[nH]c(=O)c3cc21
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| InChI |
InChI=1S/C18H22N2O2/c1-2-7-20-8-9-22-17-14-11-15-13(5-6-19-18(15)21)10-12(14)3-4-16(17)20/h5-6,10-11,16-17H,2-4,7-9H2,1H3,(H,19,21)/t16-,17-/m1/s1
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| InChIKey |
BHWFWVGETJBMKF-IAGOWNOFSA-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