General Information of the Compound
| Compound ID |
CP0938645
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| Compound Name |
4-Methyl-N-(7-((2-(4-phenylpiperazin-1-yl)ethyl)(propyl)amino)-5,6,7,8-tetrahydronaphthalen-2-yl)benzenesulfonamide
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| Structure |
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| Formula |
C32H42N4O2S
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| Molecular Weight |
546.781
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| Canonical SMILES |
CCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2C1
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| InChI |
InChI=1S/C32H42N4O2S/c1-3-17-35(21-18-34-19-22-36(23-20-34)30-7-5-4-6-8-30)31-14-12-27-11-13-29(24-28(27)25-31)33-39(37,38)32-15-9-26(2)10-16-32/h4-11,13,15-16,24,31,33H,3,12,14,17-23,25H2,1-2H3
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| InChIKey |
YXMJJRWBZVDXTQ-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