General Information of the Compound
| Compound ID |
CP0504686
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| Compound Name |
2-[(1R,3R)-1-(1,3-benzodioxol-5-yl)-5-methoxy-3-(4-methoxyphenyl)-1,3-dihydroisoindol-2-yl]acetic acid
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| Structure |
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| Formula |
C25H23NO6
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| Molecular Weight |
433.46
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| Canonical SMILES |
COc1ccc(cc1)[C@H]1N(CC(O)=O)[C@@H](c2ccc(OC)cc12)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C25H23NO6/c1-29-17-6-3-15(4-7-17)24-20-12-18(30-2)8-9-19(20)25(26(24)13-23(27)28)16-5-10-21-22(11-16)32-14-31-21/h3-12,24-25H,13-14H2,1-2H3,(H,27,28)/t24-,25-/m1/s1
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| InChIKey |
RVYMZVMEZQKWSA-JWQCQUIFSA-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