General Information of the Compound
| Compound ID |
CP0470648
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| Compound Name |
US9266877, 29
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| Structure |
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| Formula |
C36H28N8O4S
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| Molecular Weight |
668.739
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| Canonical SMILES |
Cc1noc(n1)-c1cccc(Cn2cc(cn2)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)c1
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| InChI |
InChI=1S/C36H28N8O4S/c1-21-38-34(48-42-21)24-8-4-6-22(16-24)18-44-19-25(17-37-44)26-12-13-31(40-32(26)35(46)47)43-15-14-23-7-5-9-27(28(23)20-43)33(45)41-36-39-29-10-2-3-11-30(29)49-36/h2-13,16-17,19H,14-15,18,20H2,1H3,(H,46,47)(H,39,41,45)
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| InChIKey |
ACKCMZMYRXOHHH-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