General Information of the Compound
| Compound ID |
CP0550196
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| Compound Name |
US8901315, 11
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| Structure |
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| Formula |
C23H26N4O2S
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| Molecular Weight |
422.554
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| Canonical SMILES |
CC(=O)N1CCc2cc(NC(=O)c3cc4c(C)nn(C5CCCCC5)c4s3)ccc12
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| InChI |
InChI=1S/C23H26N4O2S/c1-14-19-13-21(30-23(19)27(25-14)18-6-4-3-5-7-18)22(29)24-17-8-9-20-16(12-17)10-11-26(20)15(2)28/h8-9,12-13,18H,3-7,10-11H2,1-2H3,(H,24,29)
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| InChIKey |
HQSXZPKNYJQGQG-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