General Information of the Compound
| Compound ID |
CP0459295
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| Compound Name |
(2,4-dimethylphenyl)-[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]methanone
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| Structure |
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| Formula |
C29H28FNO4S
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| Molecular Weight |
505.611
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| Canonical SMILES |
Cc1ccc(C(=O)c2sc3cc(O)ccc3c2Oc2ccc(OCCN3CC(CF)C3)cc2)c(C)c1
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| InChI |
InChI=1S/C29H28FNO4S/c1-18-3-9-24(19(2)13-18)27(33)29-28(25-10-4-21(32)14-26(25)36-29)35-23-7-5-22(6-8-23)34-12-11-31-16-20(15-30)17-31/h3-10,13-14,20,32H,11-12,15-17H2,1-2H3
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| InChIKey |
LSSOFYVCQFGQLC-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