General Information of the Compound
| Compound ID |
CP0500643
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| Compound Name |
2-[(1R,3S)-1-(1,3-benzodioxol-5-yl)-5-ethoxy-3-[4-methoxy-2-(2H-tetrazol-5-ylmethoxy)phenyl]-1,3-dihydroisoindol-2-yl]acetic acid
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| Structure |
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| Formula |
C28H27N5O7
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| Molecular Weight |
545.552
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| Canonical SMILES |
CCOc1ccc2[C@H](N(CC(O)=O)[C@@H](c2c1)c1ccc(OC)cc1OCc1nnn[nH]1)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C28H27N5O7/c1-3-37-18-6-7-19-21(11-18)28(20-8-5-17(36-2)12-23(20)38-14-25-29-31-32-30-25)33(13-26(34)35)27(19)16-4-9-22-24(10-16)40-15-39-22/h4-12,27-28H,3,13-15H2,1-2H3,(H,34,35)(H,29,30,31,32)/t27-,28-/m1/s1
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| InChIKey |
DKZVMSFPFHQYJP-VSGBNLITSA-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