General Information of the Compound
| Compound ID |
CP0430297
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| Compound Name |
2-[(1R,3R)-1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-5-propoxy-1,3-dihydroisoindol-2-yl]acetic acid
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| Structure |
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| Formula |
C27H27NO6
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| Molecular Weight |
461.514
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| Canonical SMILES |
CCCOc1ccc2[C@H](N(CC(O)=O)[C@@H](c2c1)c1ccc(OC)cc1)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C27H27NO6/c1-3-12-32-20-9-10-21-22(14-20)26(17-4-7-19(31-2)8-5-17)28(15-25(29)30)27(21)18-6-11-23-24(13-18)34-16-33-23/h4-11,13-14,26-27H,3,12,15-16H2,1-2H3,(H,29,30)/t26-,27-/m1/s1
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| InChIKey |
QEYNQJBCFCUMCK-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