General Information of the Compound
| Compound ID |
CP0516298
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| Compound Name |
US9187424, 188
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| Structure |
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| Formula |
C26H31N3O4
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| Molecular Weight |
449.551
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| Canonical SMILES |
COc1ccc(NC(=O)C2=C(CC(C)(NC2=O)C(=O)NCC(C)C)c2ccc(C)cc2)cc1
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| InChI |
InChI=1S/C26H31N3O4/c1-16(2)15-27-25(32)26(4)14-21(18-8-6-17(3)7-9-18)22(24(31)29-26)23(30)28-19-10-12-20(33-5)13-11-19/h6-13,16H,14-15H2,1-5H3,(H,27,32)(H,28,30)(H,29,31)
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| InChIKey |
UISITWQSRCBVMV-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