General Information of the Compound
| Compound ID |
CP0436932
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| Compound Name |
(7aR,10aS)-8-Propyl-7,7a,8,9,10,10a-hexahydro-6H-1-oxa-8-aza-dicyclopenta[a,h]naphthalene
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| Structure |
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| Formula |
C17H21NO
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| Molecular Weight |
255.361
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| Canonical SMILES |
CCCN1CC[C@@H]2[C@H]1CCc1ccc3ccoc3c21
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| InChI |
InChI=1S/C17H21NO/c1-2-9-18-10-7-14-15(18)6-5-12-3-4-13-8-11-19-17(13)16(12)14/h3-4,8,11,14-15H,2,5-7,9-10H2,1H3/t14-,15-/m1/s1
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| InChIKey |
ASNREPVWGRJPSG-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor