General Information of the Compound
| Compound ID |
CP0504021
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| Compound Name |
5-(4-chlorophenyl)-3-(4-(methylsulfonyl)phenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
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| Structure |
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| Formula |
C17H16ClN3O2S2
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| Molecular Weight |
393.921
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)C1=NN(C(C1)c1ccc(Cl)cc1)C(N)=S
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| InChI |
InChI=1S/C17H16ClN3O2S2/c1-25(22,23)14-8-4-11(5-9-14)15-10-16(21(20-15)17(19)24)12-2-6-13(18)7-3-12/h2-9,16H,10H2,1H3,(H2,19,24)
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| InChIKey |
BZNFRRPUMXAVHO-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