General Information of the Compound
| Compound ID |
CP0429840
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| Compound Name |
((6S,7R)-6-Methyl-6,7,8,9-tetrahydro-naphtho[1,2-b]furan-7-yl)-dipropyl-amine
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| Structure |
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| Formula |
C19H27NO
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| Molecular Weight |
285.431
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| Canonical SMILES |
CCCN(CCC)[C@@H]1CCc2c(ccc3ccoc23)[C@@H]1C
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| InChI |
InChI=1S/C19H27NO/c1-4-11-20(12-5-2)18-9-8-17-16(14(18)3)7-6-15-10-13-21-19(15)17/h6-7,10,13-14,18H,4-5,8-9,11-12H2,1-3H3/t14-,18+/m0/s1
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| InChIKey |
BIWLJQPOPQOPKB-KBXCAEBGSA-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