General Information of the Compound
| Compound ID |
CP0403902
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| Compound Name |
2-[(3S,8S)-3-(3,4-dichlorophenyl)-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 |
C18H14Cl2O5
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| Molecular Weight |
381.211
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| Canonical SMILES |
OC(=O)C[C@@H]1COc2cc3O[C@H](COc3cc12)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C18H14Cl2O5/c19-12-2-1-9(3-13(12)20)17-8-24-15-5-11-10(4-18(21)22)7-23-14(11)6-16(15)25-17/h1-3,5-6,10,17H,4,7-8H2,(H,21,22)/t10-,17-/m1/s1
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| InChIKey |
MSIHAESWQHANGO-BMLIUANNSA-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