General Information of the Compound
| Compound ID |
CP0487084
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| Compound Name |
3-(3,4-Dichlorophenyl)-5-(4-nitrophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
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| Structure |
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| Formula |
C16H12Cl2N4O2S
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| Molecular Weight |
395.271
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| Canonical SMILES |
NC(=S)N1N=C(CC1c1ccc(cc1)[N+]([O-])=O)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C16H12Cl2N4O2S/c17-12-6-3-10(7-13(12)18)14-8-15(21(20-14)16(19)25)9-1-4-11(5-2-9)22(23)24/h1-7,15H,8H2,(H2,19,25)
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| InChIKey |
ORDPHVUTWZTFSU-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