General Information of the Compound
| Compound ID |
CP0510472
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| Compound Name |
2-(5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrazol-3-yl)-5-(1-(trifluoromethyl)cyclopropyl)-1,3,4-oxadiazole
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| Structure |
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| Formula |
C24H14BrCl2F3N6OS
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| Molecular Weight |
642.288
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| Canonical SMILES |
Cc1nnc(s1)-c1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)-c1nnc(o1)C1(CC1)C(F)(F)F
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| InChI |
InChI=1S/C24H14BrCl2F3N6OS/c1-11-31-33-21(38-11)17-18(20-32-34-22(37-20)23(8-9-23)24(28,29)30)35-36(16-7-6-14(26)10-15(16)27)19(17)12-2-4-13(25)5-3-12/h2-7,10H,8-9H2,1H3
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| InChIKey |
LBQLEKJHIUSGDF-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