General Information of the Compound
| Compound ID |
CP0425810
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| Compound Name |
1-(4-(2,4-dichlorophenyl)piperazin-1-yl)-2-(pyridin-3-ylmethoxy)ethanone
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| Structure |
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| Formula |
C18H19Cl2N3O2
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| Molecular Weight |
380.275
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| Canonical SMILES |
Clc1ccc(N2CCN(CC2)C(=O)COCc2cccnc2)c(Cl)c1
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| InChI |
InChI=1S/C18H19Cl2N3O2/c19-15-3-4-17(16(20)10-15)22-6-8-23(9-7-22)18(24)13-25-12-14-2-1-5-21-11-14/h1-5,10-11H,6-9,12-13H2
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| InChIKey |
CCCYRBOSIZXPIH-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