General Information of the Compound
| Compound ID |
CP0453845
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| Compound Name |
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2,2-dimethylhexanamide
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| Structure |
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| Formula |
C20H32ClN3O
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| Molecular Weight |
365.949
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| Canonical SMILES |
CCCCC(C)(C)C(=O)NCCN1CCN(CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C20H32ClN3O/c1-4-5-10-20(2,3)19(25)22-11-12-23-13-15-24(16-14-23)18-8-6-17(21)7-9-18/h6-9H,4-5,10-16H2,1-3H3,(H,22,25)
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| InChIKey |
KWXDZKMCZUIKDA-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: PT01161, D(4) dopamine receptor