General Information of the Compound
| Compound ID |
CP0493593
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| Compound Name |
1-[3-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-2,2-dimethylpropan-1-one
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| Structure |
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| Formula |
C14H17ClN2O
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| Molecular Weight |
264.756
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| Canonical SMILES |
CC(C)(C)C(=O)N1N=CCC1c1ccc(Cl)cc1
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| InChI |
InChI=1S/C14H17ClN2O/c1-14(2,3)13(18)17-12(8-9-16-17)10-4-6-11(15)7-5-10/h4-7,9,12H,8H2,1-3H3
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| InChIKey |
IXHRJWLDAYBARM-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