General Information of the Compound
| Compound ID |
CP0400139
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| Compound Name |
N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-3-ethynylbenzamide
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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(CCNC(=O)c3cccc(c3)C#C)CC2)c1Cl
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| InChI |
InChI=1S/C21H21Cl2N3O/c1-2-16-5-3-6-17(15-16)21(27)24-9-10-25-11-13-26(14-12-25)19-8-4-7-18(22)20(19)23/h1,3-8,15H,9-14H2,(H,24,27)
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| InChIKey |
ZXMMZWMGSDPKNA-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