General Information of the Compound
| Compound ID |
CP0539134
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| Compound Name |
US9266877, 62
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| Structure |
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| Formula |
C39H30N6O3S
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| Molecular Weight |
662.775
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| Canonical SMILES |
OC(=O)c1nc(ccc1-c1cnn(Cc2ccccc2-c2ccccc2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C39H30N6O3S/c46-37(43-39-41-33-15-6-7-16-34(33)49-39)31-14-8-12-26-19-20-44(24-32(26)31)35-18-17-30(36(42-35)38(47)48)28-21-40-45(23-28)22-27-11-4-5-13-29(27)25-9-2-1-3-10-25/h1-18,21,23H,19-20,22,24H2,(H,47,48)(H,41,43,46)
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| InChIKey |
IDTUNBRGOGGIIH-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