General Information of the Compound
| Compound ID |
CP0055615
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| Compound Name |
2-[(3R,8S)-3-(3-chlorophenyl)-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 |
C18H15ClO5
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| Molecular Weight |
346.766
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| Canonical SMILES |
OC(=O)C[C@@H]1COc2cc3O[C@@H](COc3cc12)c1cccc(Cl)c1
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| InChI |
InChI=1S/C18H15ClO5/c19-12-3-1-2-10(4-12)17-9-23-15-6-13-11(5-18(20)21)8-22-14(13)7-16(15)24-17/h1-4,6-7,11,17H,5,8-9H2,(H,20,21)/t11-,17+/m1/s1
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| InChIKey |
WRKHABMMUINCRA-DIFFPNOSSA-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