General Information of the Compound
| Compound ID |
CP0446277
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| Compound Name |
2-[(8S)-3-(3-cyclopropylphenyl)-2,3,7,8-tetrahydrofuro[3,2-g][1,4]benzodioxin-8-yl]acetic acid
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| Structure |
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| Formula |
C21H20O5
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| Molecular Weight |
352.386
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| Canonical SMILES |
OC(=O)C[C@@H]1COc2cc3OC(COc3cc12)c1cccc(c1)C1CC1
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| InChI |
InChI=1S/C21H20O5/c22-21(23)7-15-10-24-17-9-19-18(8-16(15)17)25-11-20(26-19)14-3-1-2-13(6-14)12-4-5-12/h1-3,6,8-9,12,15,20H,4-5,7,10-11H2,(H,22,23)/t15-,20?/m1/s1
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| InChIKey |
MURYVBCFTSNION-IWPPFLRJSA-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