General Information of the Compound
| Compound ID |
CP0500821
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| Compound Name |
2-[3-(9-Chloro-3-methyl-4-oxo-4H-isoxazolo[4,3-c]quinolin-5-yl)-phenyl]-N-methyl-N-(3,4,5-trimethoxy-phenyl)-acetamide
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| Structure |
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| Formula |
C29H26ClN3O6
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| Molecular Weight |
547.995
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)N(C)C(=O)Cc1cccc(c1)-n1c2cccc(Cl)c2c2noc(C)c2c1=O
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| InChI |
InChI=1S/C29H26ClN3O6/c1-16-25-27(31-39-16)26-20(30)10-7-11-21(26)33(29(25)35)18-9-6-8-17(12-18)13-24(34)32(2)19-14-22(36-3)28(38-5)23(15-19)37-4/h6-12,14-15H,13H2,1-5H3
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| InChIKey |
AFRUTEYMLMTACQ-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