General Information of the Compound
| Compound ID |
CP0400283
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| Compound Name |
3-(3,4-Dibromophenyl)-5-p-tolyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
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| Structure |
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| Formula |
C17H15Br2N3S
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| Molecular Weight |
453.203
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| Canonical SMILES |
Cc1ccc(cc1)C1CC(=NN1C(N)=S)c1ccc(Br)c(Br)c1
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| InChI |
InChI=1S/C17H15Br2N3S/c1-10-2-4-11(5-3-10)16-9-15(21-22(16)17(20)23)12-6-7-13(18)14(19)8-12/h2-8,16H,9H2,1H3,(H2,20,23)
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| InChIKey |
BAGBEDITHGNDKC-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