General Information of the Compound
| Compound ID |
CP0436097
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| Compound Name |
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-4-fluorobenzamide
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| Structure |
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| Formula |
C21H24Cl2FN3O
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| Molecular Weight |
424.347
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
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| InChI |
InChI=1S/C21H24Cl2FN3O/c22-18-4-3-5-19(20(18)23)27-14-12-26(13-15-27)11-2-1-10-25-21(28)16-6-8-17(24)9-7-16/h3-9H,1-2,10-15H2,(H,25,28)
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| InChIKey |
AGUZAIMBKPZTGP-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