General Information of the Compound
| Compound ID |
CP0575944
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| Compound Name |
US9464076, 9
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| Structure |
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| Formula |
C26H26N2O4S
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| Molecular Weight |
462.571
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| Canonical SMILES |
CC(O)c1ccc(C(C)=O)c2sc(C(=O)Nc3cc(c4ccccc4n3)C(C)(C)O)c(C)c12
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| InChI |
InChI=1S/C26H26N2O4S/c1-13-22-16(14(2)29)10-11-17(15(3)30)24(22)33-23(13)25(31)28-21-12-19(26(4,5)32)18-8-6-7-9-20(18)27-21/h6-12,14,29,32H,1-5H3,(H,27,28,31)
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| InChIKey |
NRLPKVNXPCFPGL-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