General Information of the Compound
| Compound ID |
CP0503561
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| Compound Name |
3-(4-(methylsulfonyl)phenyl)-5-p-tolyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
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| Structure |
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| Formula |
C18H19N3O2S2
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| Molecular Weight |
373.503
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| Canonical SMILES |
Cc1ccc(cc1)C1CC(=NN1C(N)=S)c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C18H19N3O2S2/c1-12-3-5-14(6-4-12)17-11-16(20-21(17)18(19)24)13-7-9-15(10-8-13)25(2,22)23/h3-10,17H,11H2,1-2H3,(H2,19,24)
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| InChIKey |
UISAGCHZHVJOQK-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