General Information of the Compound
| Compound ID |
CP0315157
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| Compound Name |
2-(4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-chlorophenyl)-1-(2-(trifluoromethyl)phenyl)-1H-pyrazol-3-yl)-5-(1-(trifluoromethylcyclobutyl)-1,3,4-thiadiazole
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| Structure |
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| Formula |
C26H18ClF6N7S
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| Molecular Weight |
609.987
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| Canonical SMILES |
FC(F)(F)c1ccccc1-n1nc(c(Cn2cncn2)c1-c1ccc(Cl)cc1)-c1nnc(s1)C1(CCC1)C(F)(F)F
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| InChI |
InChI=1S/C26H18ClF6N7S/c27-16-8-6-15(7-9-16)21-17(12-39-14-34-13-35-39)20(38-40(21)19-5-2-1-4-18(19)25(28,29)30)22-36-37-23(41-22)24(10-3-11-24)26(31,32)33/h1-2,4-9,13-14H,3,10-12H2
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| InChIKey |
MRASNHIATKPYOX-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