General Information of the Compound
| Compound ID |
CP0854589
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| Compound Name |
3-(4-((5-(4-(4-fluorophenyl)piperazine-1-carbonyl)thiophen-2-yl)methoxy)phenyl)propanoic acid
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| Structure |
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| Formula |
C25H25FN2O4S
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| Molecular Weight |
468.55
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| Canonical SMILES |
O=C(O)CCc1ccc(OCc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)s2)cc1
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| InChI |
InChI=1S/C25H25FN2O4S/c26-19-4-6-20(7-5-19)27-13-15-28(16-14-27)25(31)23-11-10-22(33-23)17-32-21-8-1-18(2-9-21)3-12-24(29)30/h1-2,4-11H,3,12-17H2,(H,29,30)
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| InChIKey |
WNWBUIDLFSJDFO-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