General Information of the Compound
| Compound ID |
CP0554767
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| Compound Name |
[3-[4-[2-(azetidin-1-yl)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-(2-methylphenyl)methanone
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| Structure |
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| Formula |
C27H25NO4S
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| Molecular Weight |
459.567
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| Canonical SMILES |
Cc1ccccc1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CCC2)cc1
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| InChI |
InChI=1S/C27H25NO4S/c1-18-5-2-3-6-22(18)25(30)27-26(23-12-7-19(29)17-24(23)33-27)32-21-10-8-20(9-11-21)31-16-15-28-13-4-14-28/h2-3,5-12,17,29H,4,13-16H2,1H3
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| InChIKey |
ZBPVVIZXILGRHZ-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