General Information of the Compound
| Compound ID |
CP0456935
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| Compound Name |
1-(4-(4-(2,4-dichlorobenzyloxy)pyrimidin-2-yl)piperazin-1-yl)-2-(pyridin-3-yl)ethanone
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| Structure |
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| Formula |
C22H21Cl2N5O2
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| Molecular Weight |
458.349
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| Canonical SMILES |
Clc1ccc(COc2ccnc(n2)N2CCN(CC2)C(=O)Cc2cccnc2)c(Cl)c1
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| InChI |
InChI=1S/C22H21Cl2N5O2/c23-18-4-3-17(19(24)13-18)15-31-20-5-7-26-22(27-20)29-10-8-28(9-11-29)21(30)12-16-2-1-6-25-14-16/h1-7,13-14H,8-12,15H2
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| InChIKey |
QFJSBOREIXMHNN-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