General Information of the Compound
| Compound ID |
CP0503318
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| Compound Name |
(3-(4-chlorophenyl)-1H-pyrazol-5-yl)(4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl)methanone
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| Structure |
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| Formula |
C23H25ClN4O2
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| Molecular Weight |
424.932
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| Canonical SMILES |
COc1ccccc1N1CCN(CC1(C)C)C(=O)c1cc(n[nH]1)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C23H25ClN4O2/c1-23(2)15-27(12-13-28(23)20-6-4-5-7-21(20)30-3)22(29)19-14-18(25-26-19)16-8-10-17(24)11-9-16/h4-11,14H,12-13,15H2,1-3H3,(H,25,26)
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| InChIKey |
OANNATBPNVWBED-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