General Information of the Compound
| Compound ID |
CP0040713
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| Compound Name |
2-(4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl)-1-(2-chlorophenyl)-1H-pyrazol-3-yl)-5-(1-(trifluoromethyl)cyclopropyl)-1,3,4-thiadiazole
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| Structure |
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| Formula |
C24H16BrClF3N7S
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| Molecular Weight |
606.859
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| Canonical SMILES |
FC(F)(F)C1(CC1)c1nnc(s1)-c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl
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| InChI |
InChI=1S/C24H16BrClF3N7S/c25-15-7-5-14(6-8-15)20-16(11-35-13-30-12-31-35)19(34-36(20)18-4-2-1-3-17(18)26)21-32-33-22(37-21)23(9-10-23)24(27,28)29/h1-8,12-13H,9-11H2
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| InChIKey |
GBSPUQPJFMNDMX-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