General Information of the Compound
| Compound ID |
CP0544018
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| Compound Name |
2-[4-chloro-3-(hydroxymethyl)-5-methylpyrazol-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone
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| Structure |
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| Formula |
C18H22Cl2N4O3
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| Molecular Weight |
413.305
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| Canonical SMILES |
COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1nc(CO)c(Cl)c1C
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| InChI |
InChI=1S/C18H22Cl2N4O3/c1-12-18(20)15(11-25)21-24(12)10-17(26)23-7-5-22(6-8-23)13-3-4-14(19)16(9-13)27-2/h3-4,9,25H,5-8,10-11H2,1-2H3
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| InChIKey |
SXLFRXWZGBCUNM-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