General Information of the Compound
| Compound ID |
CP0466901
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| Compound Name |
Acridin-9-yl-benzo[1,3]dioxol-5-yl-acetic acid benzyl ester
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| Structure |
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| Formula |
C29H21NO4
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| Molecular Weight |
447.49
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| Canonical SMILES |
O=C(OCc1ccccc1)C(c1ccc2OCOc2c1)c1c2ccccc2nc2ccccc12
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| InChI |
InChI=1S/C29H21NO4/c31-29(32-17-19-8-2-1-3-9-19)27(20-14-15-25-26(16-20)34-18-33-25)28-21-10-4-6-12-23(21)30-24-13-7-5-11-22(24)28/h1-16,27H,17-18H2
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| InChIKey |
HWNMJOYXZVLVOL-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