General Information of the Compound
| Compound ID |
CP0573354
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| Compound Name |
US9266877, 37
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| Structure |
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| Formula |
C35H28N6O3S
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| Molecular Weight |
612.715
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| Canonical SMILES |
OC(=O)c1nc(ccc1-c1cnn(c1)C1CCc2ccccc12)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C35H28N6O3S/c42-33(39-35-37-28-10-3-4-11-30(28)45-35)26-9-5-7-22-16-17-40(20-27(22)26)31-15-13-25(32(38-31)34(43)44)23-18-36-41(19-23)29-14-12-21-6-1-2-8-24(21)29/h1-11,13,15,18-19,29H,12,14,16-17,20H2,(H,43,44)(H,37,39,42)
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| InChIKey |
PDMPXJMUNXTDJX-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