General Information of the Compound
| Compound ID |
CP0426045
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| Compound Name |
(3-(4-chlorophenyl)-1H-pyrazol-5-yl)(4-(3-methoxyphenyl)piperazin-1-yl)methanone
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| Structure |
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| Formula |
C21H21ClN4O2
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| Molecular Weight |
396.878
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| Canonical SMILES |
COc1cccc(c1)N1CCN(CC1)C(=O)c1cc(n[nH]1)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C21H21ClN4O2/c1-28-18-4-2-3-17(13-18)25-9-11-26(12-10-25)21(27)20-14-19(23-24-20)15-5-7-16(22)8-6-15/h2-8,13-14H,9-12H2,1H3,(H,23,24)
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| InChIKey |
NRJUYFYUTKQALH-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