General Information of the Compound
| Compound ID |
CP0277684
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| Compound Name |
2-(4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-1H-pyrazol-3-yl)-5-(1-(trifluoromethyl-)cyclopropyl)-1,3,4-thiadiazole
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| Structure |
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| Formula |
C24H15Cl3F3N7S
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| Molecular Weight |
596.853
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| Canonical SMILES |
FC(F)(F)C1(CC1)c1nnc(s1)-c1nn(c(c1Cn1cncn1)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C24H15Cl3F3N7S/c25-14-3-1-13(2-4-14)20-16(10-36-12-31-11-32-36)19(35-37(20)18-6-5-15(26)9-17(18)27)21-33-34-22(38-21)23(7-8-23)24(28,29)30/h1-6,9,11-12H,7-8,10H2
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| InChIKey |
OMTNSTLCWWWNGB-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