General Information of the Compound
| Compound ID |
CP0408581
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| Compound Name |
Benzo[1,3]dioxol-5-yl-(2-methyl-quinolin-4-yl)-acetic acid methyl ester
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| Structure |
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| Formula |
C20H17NO4
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| Molecular Weight |
335.359
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| Canonical SMILES |
COC(=O)C(c1ccc2OCOc2c1)c1cc(C)nc2ccccc12
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| InChI |
InChI=1S/C20H17NO4/c1-12-9-15(14-5-3-4-6-16(14)21-12)19(20(22)23-2)13-7-8-17-18(10-13)25-11-24-17/h3-10,19H,11H2,1-2H3
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| InChIKey |
GTTDDHFXENWZAW-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