General Information of the Compound
| Compound ID |
CP0525954
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| Compound Name |
5-(3-chloro-4-methoxyphenyl)-2-cycloheptyl-4,4-dimethylpyrazol-3-one
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| Structure |
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| Formula |
C19H25ClN2O2
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| Molecular Weight |
348.874
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| Canonical SMILES |
COc1ccc(cc1Cl)C1=NN(C2CCCCCC2)C(=O)C1(C)C
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| InChI |
InChI=1S/C19H25ClN2O2/c1-19(2)17(13-10-11-16(24-3)15(20)12-13)21-22(18(19)23)14-8-6-4-5-7-9-14/h10-12,14H,4-9H2,1-3H3
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| InChIKey |
ZNQLOQWZRCBKSX-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