General Information of the Compound
| Compound ID |
CP0533450
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| Compound Name |
1-(4-(2,4-dichlorophenyl)piperazin-1-yl)-4-(pyridin-4-yl)butan-1-one
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| Structure |
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| Formula |
C19H21Cl2N3O
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| Molecular Weight |
378.303
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| Canonical SMILES |
Clc1ccc(N2CCN(CC2)C(=O)CCCc2ccncc2)c(Cl)c1
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| InChI |
InChI=1S/C19H21Cl2N3O/c20-16-4-5-18(17(21)14-16)23-10-12-24(13-11-23)19(25)3-1-2-15-6-8-22-9-7-15/h4-9,14H,1-3,10-13H2
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| InChIKey |
PFUAWQGDUFOVII-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