General Information of the Compound
| Compound ID |
CP0411907
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| Compound Name |
1-(4-(5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl)-3-phenoxypropan-2-ol
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| Structure |
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| Formula |
C25H25FN4O2S
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| Molecular Weight |
464.566
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| Canonical SMILES |
OC(COc1ccccc1)CN1CCN(CC1)c1ncnc2scc(-c3ccc(F)cc3)c12
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| InChI |
InChI=1S/C25H25FN4O2S/c26-19-8-6-18(7-9-19)22-16-33-25-23(22)24(27-17-28-25)30-12-10-29(11-13-30)14-20(31)15-32-21-4-2-1-3-5-21/h1-9,16-17,20,31H,10-15H2
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| InChIKey |
BUXFQVNMHIACMH-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