General Information of the Compound
Compound ID |
CP0393061
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Compound Name |
N-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentyl]-4-ethynylbenzamide
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Structure |
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Formula |
C24H27Cl2N3O
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Molecular Weight |
444.406
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Canonical SMILES |
Clc1cccc(N2CCN(CCCCCNC(=O)c3ccc(cc3)C#C)CC2)c1Cl
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InChI |
InChI=1S/C24H27Cl2N3O/c1-2-19-9-11-20(12-10-19)24(30)27-13-4-3-5-14-28-15-17-29(18-16-28)22-8-6-7-21(25)23(22)26/h1,6-12H,3-5,13-18H2,(H,27,30)
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InChIKey |
VMOFYGZGNSIHPR-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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