General Information of the Compound
| Compound ID |
CP0514554
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| Compound Name |
3-(3,4-Dimethylphenyl)-5-(4-nitrophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
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| Structure |
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| Formula |
C18H18N4O2S
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| Molecular Weight |
354.435
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| Canonical SMILES |
Cc1ccc(cc1C)C1=NN(C(C1)c1ccc(cc1)[N+]([O-])=O)C(N)=S
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| InChI |
InChI=1S/C18H18N4O2S/c1-11-3-4-14(9-12(11)2)16-10-17(21(20-16)18(19)25)13-5-7-15(8-6-13)22(23)24/h3-9,17H,10H2,1-2H3,(H2,19,25)
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| InChIKey |
SQRBULDMAYBTJT-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