General Information of the Compound
| Compound ID |
CP0523339
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| Compound Name |
US9266877, 105
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| Structure |
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| Formula |
C35H25ClN4O4S
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| Molecular Weight |
633.129
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| Canonical SMILES |
OC(=O)c1nc(ccc1-c1cccc(Oc2ccc(Cl)cc2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C35H25ClN4O4S/c36-23-11-13-24(14-12-23)44-25-7-3-6-22(19-25)26-15-16-31(38-32(26)34(42)43)40-18-17-21-5-4-8-27(28(21)20-40)33(41)39-35-37-29-9-1-2-10-30(29)45-35/h1-16,19H,17-18,20H2,(H,42,43)(H,37,39,41)
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| InChIKey |
VWKSVGWIWBXZHT-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