General Information of the Compound
| Compound ID |
CP0374971
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| Compound Name |
2-[(3S,8S)-3-[3-(trifluoromethyl)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 |
C19H15F3O5
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| Molecular Weight |
380.318
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| Canonical SMILES |
OC(=O)C[C@@H]1COc2cc3O[C@H](COc3cc12)c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C19H15F3O5/c20-19(21,22)12-3-1-2-10(4-12)17-9-26-15-6-13-11(5-18(23)24)8-25-14(13)7-16(15)27-17/h1-4,6-7,11,17H,5,8-9H2,(H,23,24)/t11-,17-/m1/s1
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| InChIKey |
HOQSHGDIZLASFK-PIGZYNQJSA-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