General Information of the Compound
| Compound ID |
CP0249245
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| Compound Name |
4-[5-[[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]pentyl]benzene-1,2-diol
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| Structure |
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| Formula |
C24H33NO3
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| Molecular Weight |
383.532
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| Canonical SMILES |
CCCN(CCCCCc1ccc(O)c(O)c1)[C@H]1CCc2c(O)cccc2C1
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| InChI |
InChI=1S/C24H33NO3/c1-2-14-25(20-11-12-21-19(17-20)8-6-9-22(21)26)15-5-3-4-7-18-10-13-23(27)24(28)16-18/h6,8-10,13,16,20,26-28H,2-5,7,11-12,14-15,17H2,1H3/t20-/m0/s1
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| InChIKey |
TXJZKUBFJGPDAH-FQEVSTJZSA-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