General Information of the Compound
| Compound ID |
CP0442031
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| Compound Name |
US8846929, 14
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| Structure |
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| Formula |
C26H38N4O3
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| Molecular Weight |
454.615
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| Canonical SMILES |
CC(C)(C)OC(=O)Nc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
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| InChI |
InChI=1S/C26H38N4O3/c1-26(2,3)33-25(32)28-23-24(31)30(22-14-10-9-13-21(22)27-23)20-15-17-29(18-16-20)19-11-7-5-4-6-8-12-19/h9-10,13-14,19-20H,4-8,11-12,15-18H2,1-3H3,(H,27,28,32)
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| InChIKey |
RDIYZOVGEOOTDF-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