General Information of the Compound
| Compound ID |
CP0541071
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| Compound Name |
ethyl 2-[3-(3-chloroquinoxalin-2-yl)-5-methoxyindol-1-yl]acetate
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| Structure |
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| Formula |
C21H18ClN3O3
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| Molecular Weight |
395.846
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| Canonical SMILES |
CCOC(=O)Cn1cc(-c2nc3ccccc3nc2Cl)c2cc(OC)ccc12
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| InChI |
InChI=1S/C21H18ClN3O3/c1-3-28-19(26)12-25-11-15(14-10-13(27-2)8-9-18(14)25)20-21(22)24-17-7-5-4-6-16(17)23-20/h4-11H,3,12H2,1-2H3
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| InChIKey |
BTTMBJUVQUXNAF-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