General Information of the Compound
| Compound ID |
CP0935414
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| Compound Name |
(R)-7-((2-(4-Phenylpiperazin-1-yl)ethyl)(propyl)amino)-5,6,7,8-tetrahydronaphthalen-2-yl 4-methoxybenzenesulfonate
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| Structure |
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| Formula |
C32H41N3O4S
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| Molecular Weight |
563.764
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| Canonical SMILES |
CCCN(CCN1CCN(c2ccccc2)CC1)[C@@H]1CCc2ccc(OS(=O)(=O)c3ccc(OC)cc3)cc2C1
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| InChI |
InChI=1S/C32H41N3O4S/c1-3-17-34(21-18-33-19-22-35(23-20-33)28-7-5-4-6-8-28)29-11-9-26-10-12-31(25-27(26)24-29)39-40(36,37)32-15-13-30(38-2)14-16-32/h4-8,10,12-16,25,29H,3,9,11,17-24H2,1-2H3/t29-/m1/s1
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| InChIKey |
ORCOYEPVULXWLK-GDLZYMKVSA-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