General Information of the Compound
| Compound ID |
CP0549593
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| Compound Name |
US10590109, Compound 15
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| Structure |
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| Formula |
C23H28N8O4
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| Molecular Weight |
480.529
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| Canonical SMILES |
COCCNc1cc(NC(=O)N(C)c2ccc(CN3CCN(C)CC3=O)c(C=O)n2)ncc1C#N
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| InChI |
InChI=1S/C23H28N8O4/c1-29-7-8-31(22(33)14-29)13-16-4-5-21(27-19(16)15-32)30(2)23(34)28-20-10-18(25-6-9-35-3)17(11-24)12-26-20/h4-5,10,12,15H,6-9,13-14H2,1-3H3,(H2,25,26,28,34)
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| InChIKey |
WMIQOTMTEKRJFD-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