General Information of the Compound
| Compound ID |
CP0538780
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| Compound Name |
US8993586, 51
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| Structure |
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| Formula |
C26H31N5O4
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| Molecular Weight |
477.565
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| Canonical SMILES |
COc1cccc2c(OC)cc(nc12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
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| InChI |
InChI=1S/C26H31N5O4/c1-25(2,3)31-15-16-14-26(28-23(32)21(16)29-31)9-11-30(12-10-26)24(33)18-13-20(35-5)17-7-6-8-19(34-4)22(17)27-18/h6-8,13,15H,9-12,14H2,1-5H3,(H,28,32)
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| InChIKey |
RMBYNQGFWQRMHV-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