General Information of the Compound
| Compound ID |
CP0422348
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| Compound Name |
7-({2-[4-(2,3-Dichloro-phenyl)-piperazin-1-yl]-ethyl}-propyl-amino)-5,6,7,8-tetrahydro-naphthalen-2-ol
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| Structure |
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| Formula |
C25H33Cl2N3O
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| Molecular Weight |
462.465
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| Canonical SMILES |
CCCN(CCN1CCN(CC1)c1cccc(Cl)c1Cl)C1CCc2ccc(O)cc2C1
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| InChI |
InChI=1S/C25H33Cl2N3O/c1-2-10-29(21-8-6-19-7-9-22(31)18-20(19)17-21)14-11-28-12-15-30(16-13-28)24-5-3-4-23(26)25(24)27/h3-5,7,9,18,21,31H,2,6,8,10-17H2,1H3
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| InChIKey |
QUMJJLZEFJECGH-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