General Information of the Compound
| Compound ID |
CP0455392
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| Compound Name |
5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(oxan-4-yl)pyrazole
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| Structure |
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| Formula |
C21H21ClN2O2
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| Molecular Weight |
368.864
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| Canonical SMILES |
COc1ccccc1-n1nc(cc1-c1ccc(Cl)cc1)C1CCOCC1
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| InChI |
InChI=1S/C21H21ClN2O2/c1-25-21-5-3-2-4-19(21)24-20(16-6-8-17(22)9-7-16)14-18(23-24)15-10-12-26-13-11-15/h2-9,14-15H,10-13H2,1H3
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| InChIKey |
FVDPIHFYLDOQMM-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