General Information of the Compound
| Compound ID |
CP0499440
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| Compound Name |
(6S)-6-[14-[[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]tetradecyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol
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| Structure |
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| Formula |
C40H64N2O2
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| Molecular Weight |
604.964
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| Canonical SMILES |
CCCN(CCCCCCCCCCCCCCN(CCC)[C@H]1CCc2c(O)cccc2C1)[C@H]1CCc2c(O)cccc2C1
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| InChI |
InChI=1S/C40H64N2O2/c1-3-27-41(35-23-25-37-33(31-35)19-17-21-39(37)43)29-15-13-11-9-7-5-6-8-10-12-14-16-30-42(28-4-2)36-24-26-38-34(32-36)20-18-22-40(38)44/h17-22,35-36,43-44H,3-16,23-32H2,1-2H3/t35-,36-/m0/s1
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| InChIKey |
YOHFJNHKEUZNTC-ZPGRZCPFSA-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: PT00957, D(2) dopamine receptor
Protein ID: PT01366, D(3) dopamine receptor