General Information of the Compound
| Compound ID |
CP0471285
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| Compound Name |
US9464076, 31
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| Structure |
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| Formula |
C28H30N2O4S
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| Molecular Weight |
490.625
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| Canonical SMILES |
CC(C)OCc1ccc(C(C)=O)c2sc(C(=O)Nc3cc(c4ccccc4n3)C(C)(C)O)c(C)c12
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| InChI |
InChI=1S/C28H30N2O4S/c1-15(2)34-14-18-11-12-19(17(4)31)26-24(18)16(3)25(35-26)27(32)30-23-13-21(28(5,6)33)20-9-7-8-10-22(20)29-23/h7-13,15,33H,14H2,1-6H3,(H,29,30,32)
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| InChIKey |
PFFZAZRFFDDETE-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