General Information of the Compound
| Compound ID |
CP0542196
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| Compound Name |
ethyl 2-[3-[6-chloro-5-[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)pyridin-4-yl]oxy-1-benzofuran-3-yl]propanoylamino]acetate
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| Structure |
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| Formula |
C32H31ClN4O6
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| Molecular Weight |
603.075
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| Canonical SMILES |
CCOC(=O)CNC(=O)CCc1coc2cc(Cl)c(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)cc12
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| InChI |
InChI=1S/C32H31ClN4O6/c1-2-41-31(39)18-35-30(38)10-7-20-19-42-28-16-24(33)29(15-22(20)28)43-27-11-12-34-17-23(27)32(40)37-14-13-36(21-8-9-21)25-5-3-4-6-26(25)37/h3-6,11-12,15-17,19,21H,2,7-10,13-14,18H2,1H3,(H,35,38)
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| InChIKey |
TXNMICNSUCYSEA-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