General Information of the Compound
| Compound ID |
CP0400221
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| Compound Name |
1-(3-(3,4-Dichlorophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone
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| Structure |
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| Formula |
C18H16Cl2N2O2
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| Molecular Weight |
363.244
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| Canonical SMILES |
COc1ccc(cc1)C1CC(=NN1C(C)=O)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C18H16Cl2N2O2/c1-11(23)22-18(12-3-6-14(24-2)7-4-12)10-17(21-22)13-5-8-15(19)16(20)9-13/h3-9,18H,10H2,1-2H3
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| InChIKey |
WIMSPGRFJUGMEL-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