General Information of the Compound
| Compound ID |
CP0567073
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| Compound Name |
US8772323, 158
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| Structure |
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| Formula |
C27H25N3O5S
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| Molecular Weight |
503.58
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| Canonical SMILES |
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCc2ccc(cc2)S(C)(=O)=O)cc1
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| InChI |
InChI=1S/C27H25N3O5S/c1-3-18-15-25(31)29-30-26(18)20-8-13-23-24(14-20)35-27(28-23)19-6-9-21(10-7-19)34-16-17-4-11-22(12-5-17)36(2,32)33/h4-14,18H,3,15-16H2,1-2H3,(H,29,31)
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| InChIKey |
HWMMKOFLDCQWJY-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