General Information of the Compound
| Compound ID |
CP0383037
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| Compound Name |
Acridin-9-yl-benzo[1,3]dioxol-5-yl-acetic acid 4-tert-butyl-benzyl ester
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| Structure |
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| Formula |
C33H29NO4
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| Molecular Weight |
503.598
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| Canonical SMILES |
CC(C)(C)c1ccc(COC(=O)C(c2ccc3OCOc3c2)c2c3ccccc3nc3ccccc23)cc1
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| InChI |
InChI=1S/C33H29NO4/c1-33(2,3)23-15-12-21(13-16-23)19-36-32(35)30(22-14-17-28-29(18-22)38-20-37-28)31-24-8-4-6-10-26(24)34-27-11-7-5-9-25(27)31/h4-18,30H,19-20H2,1-3H3
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| InChIKey |
AMWHTWLJFCHTAT-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