General Information of the Compound
| Compound ID |
CP0048134
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| Compound Name |
5-[(3,5-dichlorophenoxy)methyl]-1,2-dihydropyrazol-3-one
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| Structure |
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| Formula |
C10H8Cl2N2O2
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| Molecular Weight |
259.092
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| Canonical SMILES |
Clc1cc(Cl)cc(OCc2cc(=O)[nH][nH]2)c1
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| InChI |
InChI=1S/C10H8Cl2N2O2/c11-6-1-7(12)3-9(2-6)16-5-8-4-10(15)14-13-8/h1-4H,5H2,(H2,13,14,15)
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| InChIKey |
HTSQRRQNKJNSLH-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