General Information of the Compound
| Compound ID |
CP0377326
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| Compound Name |
7-{[2-(4-Phenyl-piperazin-1-yl)-ethyl]-prop-2-ynyl-amino}-5,6,7,8-tetrahydro-naphthalen-2-ol
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| Structure |
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| Formula |
C25H31N3O
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| Molecular Weight |
389.543
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| Canonical SMILES |
Oc1ccc2CCC(Cc2c1)N(CCN1CCN(CC1)c1ccccc1)CC#C
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| InChI |
InChI=1S/C25H31N3O/c1-2-12-27(24-10-8-21-9-11-25(29)20-22(21)19-24)16-13-26-14-17-28(18-15-26)23-6-4-3-5-7-23/h1,3-7,9,11,20,24,29H,8,10,12-19H2
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| InChIKey |
WMPBOLSQXBJOKQ-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor