General Information of the Compound
| Compound ID |
CP0389484
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| Compound Name |
(4aR,10bR)-4-propyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine-9-carboxylic acid
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| Structure |
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| Formula |
C16H21NO3
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| Molecular Weight |
275.348
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| Canonical SMILES |
CCCN1CCO[C@H]2[C@H]1CCc1ccc(cc21)C(O)=O
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| InChI |
InChI=1S/C16H21NO3/c1-2-7-17-8-9-20-15-13-10-12(16(18)19)4-3-11(13)5-6-14(15)17/h3-4,10,14-15H,2,5-9H2,1H3,(H,18,19)/t14-,15-/m1/s1
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| InChIKey |
ZWCUBCGFLWXFOM-HUUCEWRRSA-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