General Information of the Compound
| Compound ID |
CP0519197
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| Compound Name |
(4-fluoro-2-methylphenyl)-[3-[4-[1-(3-fluoropropyl)azetidin-3-yl]oxyphenoxy]-6-hydroxy-1-benzothiophen-2-yl]methanone
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| Structure |
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| Formula |
C28H25F2NO4S
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| Molecular Weight |
509.574
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| Canonical SMILES |
Cc1cc(F)ccc1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OC2CN(CCCF)C2)cc1
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| InChI |
InChI=1S/C28H25F2NO4S/c1-17-13-18(30)3-9-23(17)26(33)28-27(24-10-4-19(32)14-25(24)36-28)35-21-7-5-20(6-8-21)34-22-15-31(16-22)12-2-11-29/h3-10,13-14,22,32H,2,11-12,15-16H2,1H3
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| InChIKey |
IVGWVPNYUSALJS-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