General Information of the Compound
| Compound ID |
CP0513239
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| Compound Name |
(3-benzyl-1H-pyrazol-5-yl)(4-(2-methoxyphenyl)piperazin-1-yl)methanone
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| Structure |
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| Formula |
C22H24N4O2
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| Molecular Weight |
376.46
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| Canonical SMILES |
COc1ccccc1N1CCN(CC1)C(=O)c1cc(Cc2ccccc2)[nH]n1
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| InChI |
InChI=1S/C22H24N4O2/c1-28-21-10-6-5-9-20(21)25-11-13-26(14-12-25)22(27)19-16-18(23-24-19)15-17-7-3-2-4-8-17/h2-10,16H,11-15H2,1H3,(H,23,24)
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| InChIKey |
JDDOUXCRIPROPQ-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