General Information of the Compound
| Compound ID |
CP0502695
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| Compound Name |
N-[4-(8-chloro-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)butyl]-2,2-dimethylpropanamide
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| Structure |
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| Formula |
C21H32ClN3O
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| Molecular Weight |
377.96
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| Canonical SMILES |
CC(C)(C)C(=O)NCCCCN1CCN2C(CCc3cc(Cl)ccc23)C1
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| InChI |
InChI=1S/C21H32ClN3O/c1-21(2,3)20(26)23-10-4-5-11-24-12-13-25-18(15-24)8-6-16-14-17(22)7-9-19(16)25/h7,9,14,18H,4-6,8,10-13,15H2,1-3H3,(H,23,26)
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| InChIKey |
GAICCNSGINGGKT-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