General Information of the Compound
| Compound ID |
CP0955872
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| Compound Name |
(S)-6-((2-(4-Phenylpiperazin-1-yl)ethyl)(propyl)amino)-5,6,7,8-tetrahydronaphthalen-1-yl 4-methylbenzenesulfonate
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| Structure |
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| Formula |
C32H41N3O3S
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| Molecular Weight |
547.765
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| Canonical SMILES |
CCCN(CCN1CCN(c2ccccc2)CC1)[C@H]1CCc2c(cccc2OS(=O)(=O)c2ccc(C)cc2)C1
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| InChI |
InChI=1S/C32H41N3O3S/c1-3-18-34(22-19-33-20-23-35(24-21-33)28-9-5-4-6-10-28)29-14-17-31-27(25-29)8-7-11-32(31)38-39(36,37)30-15-12-26(2)13-16-30/h4-13,15-16,29H,3,14,17-25H2,1-2H3/t29-/m0/s1
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| InChIKey |
JECVAPXLXCEDIY-LJAQVGFWSA-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