General Information of the Compound
| Compound ID |
CP0436839
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| Compound Name |
3-(3,4-Dibromophenyl)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
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| Structure |
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| Formula |
C16H12Br2FN3S
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| Molecular Weight |
457.166
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| Canonical SMILES |
NC(=S)N1N=C(CC1c1ccccc1F)c1ccc(Br)c(Br)c1
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| InChI |
InChI=1S/C16H12Br2FN3S/c17-11-6-5-9(7-12(11)18)14-8-15(22(21-14)16(20)23)10-3-1-2-4-13(10)19/h1-7,15H,8H2,(H2,20,23)
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| InChIKey |
YOUIWBFLRYPWPG-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