General Information of the Compound
| Compound ID |
CP0467720
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| Compound Name |
1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
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| Structure |
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| Formula |
C23H23FN4O3S
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| Molecular Weight |
454.527
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| Canonical SMILES |
Fc1ccc(cc1)-c1nnc(SCC(=O)N2CCN(Cc3ccc4OCCc4c3)CC2)o1
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| InChI |
InChI=1S/C23H23FN4O3S/c24-19-4-2-17(3-5-19)22-25-26-23(31-22)32-15-21(29)28-10-8-27(9-11-28)14-16-1-6-20-18(13-16)7-12-30-20/h1-6,13H,7-12,14-15H2
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| InChIKey |
IEXJAHHTWULZER-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