General Information of the Compound
| Compound ID |
CP0509573
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| Compound Name |
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-2,2-dimethylpropanamide
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| Structure |
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| Formula |
C19H30ClN3O
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| Molecular Weight |
351.922
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| Canonical SMILES |
CC(C)(C)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1
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| InChI |
InChI=1S/C19H30ClN3O/c1-19(2,3)18(24)21-9-4-5-10-22-11-13-23(14-12-22)17-8-6-7-16(20)15-17/h6-8,15H,4-5,9-14H2,1-3H3,(H,21,24)
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| InChIKey |
VNGXWCQDWFYDOS-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