General Information of the Compound
| Compound ID |
CP0425812
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| Compound Name |
1-(4-(2,4-dichlorophenyl)piperazin-1-yl)-2-(pyrimidin-4-ylmethoxy)ethanone
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| Structure |
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| Formula |
C17H18Cl2N4O2
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| Molecular Weight |
381.263
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| Canonical SMILES |
Clc1ccc(N2CCN(CC2)C(=O)COCc2ccncn2)c(Cl)c1
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| InChI |
InChI=1S/C17H18Cl2N4O2/c18-13-1-2-16(15(19)9-13)22-5-7-23(8-6-22)17(24)11-25-10-14-3-4-20-12-21-14/h1-4,9,12H,5-8,10-11H2
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| InChIKey |
HZQBESXNBCILDZ-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