General Information of the Compound
| Compound ID |
CP0448831
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| Compound Name |
1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-chloro-5-methyl-3-methylsulfonylpyrazol-1-yl)ethanone
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| Structure |
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| Formula |
C18H22Cl2N4O4S
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| Molecular Weight |
461.371
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| Canonical SMILES |
COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1nc(c(Cl)c1C)S(C)(=O)=O
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| InChI |
InChI=1S/C18H22Cl2N4O4S/c1-12-17(20)18(29(3,26)27)21-24(12)11-16(25)23-8-6-22(7-9-23)13-4-5-14(19)15(10-13)28-2/h4-5,10H,6-9,11H2,1-3H3
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| InChIKey |
VPLNAQRCBLIMNX-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