General Information of the Compound
| Compound ID |
CP0452468
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| Compound Name |
1-(4-(3-(2,4-dimethoxyphenyl)-1-m-tolyl-1H-pyrazole-5-carbonyl)piperazin-1-yl)ethanone
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| Structure |
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| Formula |
C25H28N4O4
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| Molecular Weight |
448.523
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| Canonical SMILES |
COc1ccc(-c2cc(C(=O)N3CCN(CC3)C(C)=O)n(n2)-c2cccc(C)c2)c(OC)c1
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| InChI |
InChI=1S/C25H28N4O4/c1-17-6-5-7-19(14-17)29-23(25(31)28-12-10-27(11-13-28)18(2)30)16-22(26-29)21-9-8-20(32-3)15-24(21)33-4/h5-9,14-16H,10-13H2,1-4H3
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| InChIKey |
NSCJVYFNYAOWEQ-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