General Information of the Compound
| Compound ID |
CP0534202
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| Compound Name |
3-(3-chloro-4-methoxyphenyl)-4,4-dimethyl-1H-pyrazol-5-one
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| Structure |
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| Formula |
C12H13ClN2O2
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| Molecular Weight |
252.701
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| Canonical SMILES |
COc1ccc(cc1Cl)C1=NNC(=O)C1(C)C
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| InChI |
InChI=1S/C12H13ClN2O2/c1-12(2)10(14-15-11(12)16)7-4-5-9(17-3)8(13)6-7/h4-6H,1-3H3,(H,15,16)
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| InChIKey |
VQPZKBIAIXDDEP-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