General Information of the Compound
| Compound ID |
CP0446279
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| Compound Name |
2-[(8S)-3-[3-(2-chloro-4-fluorophenyl)phenyl]-2,3,7,8-tetrahydrofuro[2,3-g][1,4]benzodioxin-8-yl]acetic acid
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| Structure |
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| Formula |
C24H18ClFO5
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| Molecular Weight |
440.854
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| Canonical SMILES |
OC(=O)C[C@@H]1COc2cc3OC(COc3cc12)c1cccc(c1)-c1ccc(F)cc1Cl
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| InChI |
InChI=1S/C24H18ClFO5/c25-19-8-16(26)4-5-17(19)13-2-1-3-14(6-13)23-12-30-21-9-18-15(7-24(27)28)11-29-20(18)10-22(21)31-23/h1-6,8-10,15,23H,7,11-12H2,(H,27,28)/t15-,23?/m1/s1
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| InChIKey |
JPTXYNMLYMHISJ-NKTHEXPSSA-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