General Information of the Compound
| Compound ID |
CP0522805
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| Compound Name |
N-[2-[7-[(4-fluoro-3-methylphenyl)methylamino]-3-(4-methoxyphenyl)-2-oxoquinoxalin-1-yl]ethyl]acetamide
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| Structure |
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| Formula |
C27H27FN4O3
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| Molecular Weight |
474.536
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| Canonical SMILES |
COc1ccc(cc1)-c1nc2ccc(NCc3ccc(F)c(C)c3)cc2n(CCNC(C)=O)c1=O
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| InChI |
InChI=1S/C27H27FN4O3/c1-17-14-19(4-10-23(17)28)16-30-21-7-11-24-25(15-21)32(13-12-29-18(2)33)27(34)26(31-24)20-5-8-22(35-3)9-6-20/h4-11,14-15,30H,12-13,16H2,1-3H3,(H,29,33)
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| InChIKey |
HISJLSXOXJASNK-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