General Information of the Compound
| Compound ID |
CP0466484
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| Compound Name |
US8901315, 23
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| Structure |
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| Formula |
C25H30N4O2S
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| Molecular Weight |
450.608
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| Canonical SMILES |
CC(C)C(=O)N1CCc2cc(NC(=O)c3cc4c(C)nn(C5CCCCC5)c4s3)ccc12
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| InChI |
InChI=1S/C25H30N4O2S/c1-15(2)24(31)28-12-11-17-13-18(9-10-21(17)28)26-23(30)22-14-20-16(3)27-29(25(20)32-22)19-7-5-4-6-8-19/h9-10,13-15,19H,4-8,11-12H2,1-3H3,(H,26,30)
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| InChIKey |
JCWBYTSWIRSXJU-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