General Information of the Compound
| Compound ID |
CP0393063
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| Compound Name |
N-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentyl]-3-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)c3cccc(c3)C#C)CC2)c1Cl
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| InChI |
InChI=1S/C24H27Cl2N3O/c1-2-19-8-6-9-20(18-19)24(30)27-12-4-3-5-13-28-14-16-29(17-15-28)22-11-7-10-21(25)23(22)26/h1,6-11,18H,3-5,12-17H2,(H,27,30)
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| InChIKey |
BHVASJSYMURYLK-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