General Information of the Compound
| Compound ID |
CP0912857
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| Compound Name |
N-(7-((2-(4-Phenylpiperazin-1-yl)ethyl)(propyl)amino)-5,6,7,8-tetrahydronaphthalen-2-yl)-4-(trifluoromethyl)benzenesulfonamide
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| Structure |
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| Formula |
C32H39F3N4O2S
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| Molecular Weight |
600.751
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| Canonical SMILES |
CCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2C1
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| InChI |
InChI=1S/C32H39F3N4O2S/c1-2-16-38(20-17-37-18-21-39(22-19-37)29-6-4-3-5-7-29)30-13-9-25-8-12-28(23-26(25)24-30)36-42(40,41)31-14-10-27(11-15-31)32(33,34)35/h3-8,10-12,14-15,23,30,36H,2,9,13,16-22,24H2,1H3
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| InChIKey |
HBJAUIGRDDZSRE-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: PT00957, D(2) dopamine receptor
Protein ID: PT01366, D(3) dopamine receptor