General Information of the Compound
| Compound ID |
CP0380694
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| Compound Name |
(2R)-2-N-[2-(4-phenylpiperazin-1-yl)ethyl]-2-N-propyl-1,2,3,4-tetrahydronaphthalene-2,7-diamine
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| Structure |
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| Formula |
C25H36N4
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| Molecular Weight |
392.591
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| Canonical SMILES |
CCCN(CCN1CCN(CC1)c1ccccc1)[C@@H]1CCc2ccc(N)cc2C1
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| InChI |
InChI=1S/C25H36N4/c1-2-12-28(25-11-9-21-8-10-23(26)19-22(21)20-25)16-13-27-14-17-29(18-15-27)24-6-4-3-5-7-24/h3-8,10,19,25H,2,9,11-18,20,26H2,1H3/t25-/m1/s1
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| InChIKey |
FJXRWQLSUYHSFX-RUZDIDTESA-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