General Information of the Compound
| Compound ID |
CP0422277
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| Compound Name |
Acridin-9-yl-benzo[1,3]dioxol-5-yl-acetic acid benzo[1,3]dioxol-5-ylmethyl ester
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| Structure |
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| Formula |
C30H21NO6
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| Molecular Weight |
491.499
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| Canonical SMILES |
O=C(OCc1ccc2OCOc2c1)C(c1ccc2OCOc2c1)c1c2ccccc2nc2ccccc12
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| InChI |
InChI=1S/C30H21NO6/c32-30(33-15-18-9-11-24-26(13-18)36-16-34-24)28(19-10-12-25-27(14-19)37-17-35-25)29-20-5-1-3-7-22(20)31-23-8-4-2-6-21(23)29/h1-14,28H,15-17H2
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| InChIKey |
WDCUHHNJZSWUFN-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