General Information of the Compound
| Compound ID |
CP0471052
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| Compound Name |
3-(3,4-Dimethylphenyl)-5-p-tolyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
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| Structure |
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| Formula |
C19H21N3S
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| Molecular Weight |
323.465
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| Canonical SMILES |
Cc1ccc(cc1)C1CC(=NN1C(N)=S)c1ccc(C)c(C)c1
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| InChI |
InChI=1S/C19H21N3S/c1-12-4-7-15(8-5-12)18-11-17(21-22(18)19(20)23)16-9-6-13(2)14(3)10-16/h4-10,18H,11H2,1-3H3,(H2,20,23)
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| InChIKey |
AAXJTXUUVCETME-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