General Information of the Compound
| Compound ID |
CP0539132
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| Compound Name |
US9266877, 34
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| Structure |
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| Formula |
C35H31N7O3S
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| Molecular Weight |
629.746
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| Canonical SMILES |
CN(C)c1cccc(Cn2cc(cn2)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)c1
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| InChI |
InChI=1S/C35H31N7O3S/c1-40(2)25-9-5-7-22(17-25)19-42-20-24(18-36-42)26-13-14-31(38-32(26)34(44)45)41-16-15-23-8-6-10-27(28(23)21-41)33(43)39-35-37-29-11-3-4-12-30(29)46-35/h3-14,17-18,20H,15-16,19,21H2,1-2H3,(H,44,45)(H,37,39,43)
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| InChIKey |
QGGHHQCYXAURKG-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