General Information of the Compound
| Compound ID |
CP0493577
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| Compound Name |
(6S)-6-[7-[[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]heptyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol
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| Structure |
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| Formula |
C33H50N2O2
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| Molecular Weight |
506.775
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| Canonical SMILES |
CCCN(CCCCCCCN(CCC)[C@H]1CCc2c(O)cccc2C1)[C@H]1CCc2c(O)cccc2C1
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| InChI |
InChI=1S/C33H50N2O2/c1-3-20-34(28-16-18-30-26(24-28)12-10-14-32(30)36)22-8-6-5-7-9-23-35(21-4-2)29-17-19-31-27(25-29)13-11-15-33(31)37/h10-15,28-29,36-37H,3-9,16-25H2,1-2H3/t28-,29-/m0/s1
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| InChIKey |
CIDCPLKTGCFTOZ-VMPREFPWSA-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