General Information of the Compound
| Compound ID |
CP0373346
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| Compound Name |
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-3-(2-phenylethynyl)benzamide
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| Structure |
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| Formula |
C29H29Cl2N3O
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| Molecular Weight |
506.477
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| Canonical SMILES |
Clc1cccc(N2CCN(CCCCNC(=O)c3cccc(c3)C#Cc3ccccc3)CC2)c1Cl
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| InChI |
InChI=1S/C29H29Cl2N3O/c30-26-12-7-13-27(28(26)31)34-20-18-33(19-21-34)17-5-4-16-32-29(35)25-11-6-10-24(22-25)15-14-23-8-2-1-3-9-23/h1-3,6-13,22H,4-5,16-21H2,(H,32,35)
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| InChIKey |
RFRIYEZLKPZDGU-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