General Information of the Compound
| Compound ID |
CP0963681
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| Compound Name |
2-(6-((5-(4-(4-fluorophenyl)piperazine-1-carbonyl)thiophen-2-yl)methoxy)-2,3-dihydrobenzofuran-3-yl)acetic acid
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| Structure |
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| Formula |
C26H25FN2O5S
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| Molecular Weight |
496.56
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| Canonical SMILES |
O=C(O)CC1COc2cc(OCc3ccc(C(=O)N4CCN(c5ccc(F)cc5)CC4)s3)ccc21
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| InChI |
InChI=1S/C26H25FN2O5S/c27-18-1-3-19(4-2-18)28-9-11-29(12-10-28)26(32)24-8-6-21(35-24)16-33-20-5-7-22-17(13-25(30)31)15-34-23(22)14-20/h1-8,14,17H,9-13,15-16H2,(H,30,31)
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| InChIKey |
MCWJCLUEFKRHJP-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