General Information of the Compound
| Compound ID |
CP0447359
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| Compound Name |
[3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-(4-methoxyphenyl)methanone
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| Structure |
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| Formula |
C18H18N2O3
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| Molecular Weight |
310.353
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| Canonical SMILES |
COc1ccc(cc1)C(=O)N1N=C(C)CC1c1ccccc1O
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| InChI |
InChI=1S/C18H18N2O3/c1-12-11-16(15-5-3-4-6-17(15)21)20(19-12)18(22)13-7-9-14(23-2)10-8-13/h3-10,16,21H,11H2,1-2H3
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| InChIKey |
NQBNYOCODRLZNQ-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