General Information of the Compound
| Compound ID |
CP0527319
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| Compound Name |
ethyl 12,14-dimethyl-9-(5-methylfuran-2-yl)-13,15-dioxo-17-phenyl-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-4-carboxylate
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| Structure |
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| Formula |
C29H25N3O6
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| Molecular Weight |
511.534
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| Canonical SMILES |
CCOC(=O)c1ccc2OC(c3ccc(C)o3)c3n(c(-c4ccccc4)c4c3n(C)c(=O)n(C)c4=O)-c2c1
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| InChI |
InChI=1S/C29H25N3O6/c1-5-36-28(34)18-12-14-20-19(15-18)32-23(17-9-7-6-8-10-17)22-24(30(3)29(35)31(4)27(22)33)25(32)26(38-20)21-13-11-16(2)37-21/h6-15,26H,5H2,1-4H3
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| InChIKey |
MVMQEXOFACYJAQ-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