General Information of the Compound
| Compound ID |
CP0441826
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| Compound Name |
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-6-fluoropyridine-3-carboxamide
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| Structure |
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| Formula |
C20H23Cl2FN4O
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| Molecular Weight |
425.335
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| Canonical SMILES |
Fc1ccc(cn1)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
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| InChI |
InChI=1S/C20H23Cl2FN4O/c21-16-4-3-5-17(19(16)22)27-12-10-26(11-13-27)9-2-1-8-24-20(28)15-6-7-18(23)25-14-15/h3-7,14H,1-2,8-13H2,(H,24,28)
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| InChIKey |
YILNPRPYCRADTF-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: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor