General Information of the Compound
| Compound ID |
CP0452782
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| Compound Name |
(6S)-6-[10-[[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]decyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol
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| Structure |
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| Formula |
C36H56N2O2
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| Molecular Weight |
548.856
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| Canonical SMILES |
CCCN(CCCCCCCCCCN(CCC)[C@H]1CCc2c(O)cccc2C1)[C@H]1CCc2c(O)cccc2C1
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| InChI |
InChI=1S/C36H56N2O2/c1-3-23-37(31-19-21-33-29(27-31)15-13-17-35(33)39)25-11-9-7-5-6-8-10-12-26-38(24-4-2)32-20-22-34-30(28-32)16-14-18-36(34)40/h13-18,31-32,39-40H,3-12,19-28H2,1-2H3/t31-,32-/m0/s1
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| InChIKey |
SQYZBSPQNGOKJY-ACHIHNKUSA-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: PT00957, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01366, D(3) dopamine receptor