General Information of the Compound
| Compound ID |
CP0855713
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| Compound Name |
(4aR,10aR)-1-propyl-1,2,3,4,4a,5,10,10a-octahydro-benzo[g]quinolin-6-ol trifluoroacetic acid
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| Structure |
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| Formula |
C18H24F3NO3
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| Molecular Weight |
359.388
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| Canonical SMILES |
CCCN1CCC[C@@H]2Cc3c(O)cccc3C[C@H]21.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C16H23NO.C2HF3O2/c1-2-8-17-9-4-6-13-10-14-12(11-15(13)17)5-3-7-16(14)18;3-2(4,5)1(6)7/h3,5,7,13,15,18H,2,4,6,8-11H2,1H3;(H,6,7)/t13-,15-;/m1./s1
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| InChIKey |
GITRAKCASHJKNC-SWYZXDRTSA-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: PT01195, D(1A) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor