General Information of the Compound
| Compound ID |
CP0382018
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| Compound Name |
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]but-2-ynyl]benzamide
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| Structure |
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| Formula |
C21H21Cl2N3O
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| Molecular Weight |
402.325
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| Canonical SMILES |
Clc1cccc(N2CCN(CC#CCNC(=O)c3ccccc3)CC2)c1Cl
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| InChI |
InChI=1S/C21H21Cl2N3O/c22-18-9-6-10-19(20(18)23)26-15-13-25(14-16-26)12-5-4-11-24-21(27)17-7-2-1-3-8-17/h1-3,6-10H,11-16H2,(H,24,27)
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| InChIKey |
NZDBRYJVPWCALT-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: PT00957, D(2) dopamine receptor
Protein ID: PT01366, D(3) dopamine receptor