General Information of the Compound
| Compound ID |
CP0499996
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| Compound Name |
(3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl)(4-(2-methoxyphenyl)piperazin-1-yl)methanone
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| Structure |
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| Formula |
C21H20Cl2N4O2
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| Molecular Weight |
431.323
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| Canonical SMILES |
COc1ccccc1N1CCN(CC1)C(=O)c1cc(n[nH]1)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C21H20Cl2N4O2/c1-29-20-5-3-2-4-19(20)26-8-10-27(11-9-26)21(28)18-13-17(24-25-18)15-7-6-14(22)12-16(15)23/h2-7,12-13H,8-11H2,1H3,(H,24,25)
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| InChIKey |
CQQUWJNBSSVPSS-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