General Information of the Compound
| Compound ID |
CP0539204
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| Compound Name |
3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-5-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-1,2,4-oxadiazole
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| Formula |
C17H13ClF3N5OS
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| Molecular Weight |
427.839
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| Canonical SMILES |
Cc1nn(C)c(Cl)c1Cc1noc(n1)-c1sc2nc(ccc2c1C)C(F)(F)F
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| InChI |
InChI=1S/C17H13ClF3N5OS/c1-7-9-4-5-11(17(19,20)21)22-16(9)28-13(7)15-23-12(25-27-15)6-10-8(2)24-26(3)14(10)18/h4-5H,6H2,1-3H3
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| InChIKey |
QTTFLWHGYVUDOV-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
Protein ID: PT01546, ATP-dependent translocase ABCB1
Protein ID: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2