General Information of the Compound
| Compound ID |
CP0493103
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| Compound Name |
3-(((3S,4R)-6-((5-fluorobenzo[d]thiazol-2-yl)methoxy)-4-(hydroxymethyl)chroman-3-yl)methyl)benzoic acid
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| Structure |
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| Formula |
C26H22FNO5S
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| Molecular Weight |
479.529
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| Canonical SMILES |
OC[C@@H]1[C@H](Cc2cccc(c2)C(O)=O)COc2ccc(OCc3nc4cc(F)ccc4s3)cc12
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| InChI |
InChI=1S/C26H22FNO5S/c27-18-4-7-24-22(10-18)28-25(34-24)14-32-19-5-6-23-20(11-19)21(12-29)17(13-33-23)9-15-2-1-3-16(8-15)26(30)31/h1-8,10-11,17,21,29H,9,12-14H2,(H,30,31)/t17-,21-/m1/s1
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| InChIKey |
KPSJUBYAIAQGGH-DYESRHJHSA-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