General Information of the Compound
| Compound ID |
CP0492866
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| Compound Name |
2-[(1R,3R)-1-(1,3-benzodioxol-5-yl)-3-[2-(carboxymethoxy)-3,4,5-trimethoxyphenyl]-5-ethoxy-1,3-dihydroisoindol-2-yl]acetic acid
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| Structure |
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| Formula |
C30H31NO11
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| Molecular Weight |
581.574
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| Canonical SMILES |
CCOc1ccc2[C@H](N(CC(O)=O)[C@H](c2c1)c1cc(OC)c(OC)c(OC)c1OCC(O)=O)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C30H31NO11/c1-5-39-17-7-8-18-19(11-17)27(20-12-23(36-2)29(37-3)30(38-4)28(20)40-14-25(34)35)31(13-24(32)33)26(18)16-6-9-21-22(10-16)42-15-41-21/h6-12,26-27H,5,13-15H2,1-4H3,(H,32,33)(H,34,35)/t26-,27-/m1/s1
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| InChIKey |
OMYYOJQBOHJVSD-KAYWLYCHSA-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