General Information of the Compound
| Compound ID |
CP0448426
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| Compound Name |
Acridin-9-yl-benzo[1,3]dioxol-5-yl-acetic acid tert-butyl ester
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| Structure |
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| Formula |
C26H23NO4
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| Molecular Weight |
413.473
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| Canonical SMILES |
CC(C)(C)OC(=O)C(c1ccc2OCOc2c1)c1c2ccccc2nc2ccccc12
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| InChI |
InChI=1S/C26H23NO4/c1-26(2,3)31-25(28)23(16-12-13-21-22(14-16)30-15-29-21)24-17-8-4-6-10-19(17)27-20-11-7-5-9-18(20)24/h4-14,23H,15H2,1-3H3
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| InChIKey |
KTLCBCNCYPCXHN-UHFFFAOYSA-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