General Information of the Compound
| Compound ID |
CP0539135
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| Compound Name |
US9266877, 64
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| Structure |
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| Formula |
C34H26N6O4S
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| Molecular Weight |
614.687
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| Canonical SMILES |
OC(=O)c1nc(ccc1-c1cnn(Cc2cccc(C=O)c2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C34H26N6O4S/c41-20-22-6-3-5-21(15-22)17-40-18-24(16-35-40)25-11-12-30(37-31(25)33(43)44)39-14-13-23-7-4-8-26(27(23)19-39)32(42)38-34-36-28-9-1-2-10-29(28)45-34/h1-12,15-16,18,20H,13-14,17,19H2,(H,43,44)(H,36,38,42)
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| InChIKey |
GPSWVVSZOULEBI-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