General Information of the Compound
| Compound ID |
CP0514068
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| Compound Name |
6-[2-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol
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| Structure |
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| Formula |
C28H38N4O
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| Molecular Weight |
446.639
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| Canonical SMILES |
CCCN(CCN1CCN(Cc2c[nH]c3ccccc23)CC1)C1CCc2c(O)cccc2C1
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| InChI |
InChI=1S/C28H38N4O/c1-2-12-32(24-10-11-26-22(19-24)6-5-9-28(26)33)18-17-30-13-15-31(16-14-30)21-23-20-29-27-8-4-3-7-25(23)27/h3-9,20,24,29,33H,2,10-19,21H2,1H3
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| InChIKey |
UHRDDHPBSKWWGI-UHFFFAOYSA-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