General Information of the Compound
| Compound ID |
CP0470881
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| Compound Name |
3-(4-(methylsulfonyl)phenyl)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
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| Structure |
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| Formula |
C17H17N3O2S2
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| Molecular Weight |
359.476
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)C1=NN(C(C1)c1ccccc1)C(N)=S
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| InChI |
InChI=1S/C17H17N3O2S2/c1-24(21,22)14-9-7-12(8-10-14)15-11-16(20(19-15)17(18)23)13-5-3-2-4-6-13/h2-10,16H,11H2,1H3,(H2,18,23)
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| InChIKey |
QCLMXDMMJFZLEK-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