General Information of the Compound
| Compound ID |
CP0463232
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| Compound Name |
Acridin-9-yl-benzo[1,3]dioxol-5-yl-acetic acid 4-chloro-benzyl ester
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| Structure |
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| Formula |
C29H20ClNO4
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| Molecular Weight |
481.935
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| Canonical SMILES |
Clc1ccc(COC(=O)C(c2ccc3OCOc3c2)c2c3ccccc3nc3ccccc23)cc1
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| InChI |
InChI=1S/C29H20ClNO4/c30-20-12-9-18(10-13-20)16-33-29(32)27(19-11-14-25-26(15-19)35-17-34-25)28-21-5-1-3-7-23(21)31-24-8-4-2-6-22(24)28/h1-15,27H,16-17H2
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| InChIKey |
BDQKQZBSECLBLP-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