General Information of the Compound
| Compound ID |
CP0448852
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| Compound Name |
(1R,3S)-1-Benzo[1,3]dioxol-5-yl-5-ethoxy-2-(1H-tetrazol-5-yl)-3-(3,4,5-trimethoxy-phenyl)-2,3-dihydro-1H-isoindole
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| Structure |
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| Formula |
C27H27N5O6
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| Molecular Weight |
517.542
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| Canonical SMILES |
CCOc1ccc2[C@H](N([C@H](c2c1)c1cc(OC)c(OC)c(OC)c1)c1nnn[nH]1)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C27H27N5O6/c1-5-36-17-7-8-18-19(13-17)25(16-11-22(33-2)26(35-4)23(12-16)34-3)32(27-28-30-31-29-27)24(18)15-6-9-20-21(10-15)38-14-37-20/h6-13,24-25H,5,14H2,1-4H3,(H,28,29,30,31)/t24-,25+/m1/s1
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| InChIKey |
DNHOXWUVWOEOHX-RPBOFIJWSA-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