General Information of the Compound
| Compound ID |
CP0521246
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| Compound Name |
2-(1,3-benzodioxol-5-yl)-4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole
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| Structure |
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| Formula |
C21H20FN3O2S
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| Molecular Weight |
397.475
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| Canonical SMILES |
Fc1ccccc1N1CCN(Cc2csc(n2)-c2ccc3OCOc3c2)CC1
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| InChI |
InChI=1S/C21H20FN3O2S/c22-17-3-1-2-4-18(17)25-9-7-24(8-10-25)12-16-13-28-21(23-16)15-5-6-19-20(11-15)27-14-26-19/h1-6,11,13H,7-10,12,14H2
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| InChIKey |
CIXGFQNLXZKQAX-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