General Information of the Compound
| Compound ID |
CP0544551
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| Compound Name |
3-(3-cyclopentyloxy-4-methoxyphenyl)-4,4-dimethyl-1H-pyrazol-5-one
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| Structure |
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| Formula |
C17H22N2O3
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| Molecular Weight |
302.374
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| Canonical SMILES |
COc1ccc(cc1OC1CCCC1)C1=NNC(=O)C1(C)C
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| InChI |
InChI=1S/C17H22N2O3/c1-17(2)15(18-19-16(17)20)11-8-9-13(21-3)14(10-11)22-12-6-4-5-7-12/h8-10,12H,4-7H2,1-3H3,(H,19,20)
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| InChIKey |
OEXHNVPDHFPXCA-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