General Information of the Compound
| Compound ID |
CP0462307
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| Compound Name |
[6-hydroxy-3-[4-[2-(3-methylazetidin-1-yl)ethoxy]phenoxy]-1-benzothiophen-2-yl]-(2-methylphenyl)methanone
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| Structure |
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| Formula |
C28H27NO4S
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| Molecular Weight |
473.594
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| Canonical SMILES |
CC1CN(CCOc2ccc(Oc3c(sc4cc(O)ccc34)C(=O)c3ccccc3C)cc2)C1
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| InChI |
InChI=1S/C28H27NO4S/c1-18-16-29(17-18)13-14-32-21-8-10-22(11-9-21)33-27-24-12-7-20(30)15-25(24)34-28(27)26(31)23-6-4-3-5-19(23)2/h3-12,15,18,30H,13-14,16-17H2,1-2H3
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| InChIKey |
ZVCPMSYHWCDWSA-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