General Information of the Compound
| Compound ID |
CP0462306
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| Compound Name |
[3-[4-(1-cyclopropylazetidin-3-yl)oxyphenoxy]-6-hydroxy-1-benzothiophen-2-yl]-(4-fluoro-2,6-dimethylphenyl)methanone
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| Structure |
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| Formula |
C29H26FNO4S
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| Molecular Weight |
503.595
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| Canonical SMILES |
Cc1cc(F)cc(C)c1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OC2CN(C2)C2CC2)cc1
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| InChI |
InChI=1S/C29H26FNO4S/c1-16-11-18(30)12-17(2)26(16)27(33)29-28(24-10-5-20(32)13-25(24)36-29)35-22-8-6-21(7-9-22)34-23-14-31(15-23)19-3-4-19/h5-13,19,23,32H,3-4,14-15H2,1-2H3
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| InChIKey |
AYZIXJVUCUHXTM-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