General Information of the Compound
| Compound ID |
CP0515071
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| Compound Name |
US9266877, 89
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| Structure |
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| Formula |
C37H34N6O5S
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| Molecular Weight |
674.783
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| Canonical SMILES |
COCCOc1ccccc1Cn1ncc(c1C)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C37H34N6O5S/c1-23-28(20-38-43(23)21-25-8-3-5-12-31(25)48-19-18-47-2)26-14-15-33(40-34(26)36(45)46)42-17-16-24-9-7-10-27(29(24)22-42)35(44)41-37-39-30-11-4-6-13-32(30)49-37/h3-15,20H,16-19,21-22H2,1-2H3,(H,45,46)(H,39,41,44)
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| InChIKey |
UFFDCIFWKCFSNV-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