General Information of the Compound
| Compound ID |
CP0429913
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| Compound Name |
Benzo[1,3]dioxol-5-yl-(2-phenyl-quinolin-4-yl)-acetic acid methyl ester
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| Structure |
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| Formula |
C25H19NO4
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| Molecular Weight |
397.43
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| Canonical SMILES |
COC(=O)C(c1ccc2OCOc2c1)c1cc(nc2ccccc12)-c1ccccc1
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| InChI |
InChI=1S/C25H19NO4/c1-28-25(27)24(17-11-12-22-23(13-17)30-15-29-22)19-14-21(16-7-3-2-4-8-16)26-20-10-6-5-9-18(19)20/h2-14,24H,15H2,1H3
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| InChIKey |
JHTFPOOWJFSFAY-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