General Information of the Compound
| Compound ID |
CP0559170
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| Compound Name |
US9428456, 2.061
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| Structure |
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| Formula |
C26H34N4O2
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| Molecular Weight |
434.584
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| Canonical SMILES |
Cc1cncc(c1)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)N2CCC(C)(C)C2)c1
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| InChI |
InChI=1S/C26H34N4O2/c1-19-13-22(16-27-15-19)24(31)28-23-6-4-5-20(14-23)17-29-10-7-21(8-11-29)25(32)30-12-9-26(2,3)18-30/h4-6,13-16,21H,7-12,17-18H2,1-3H3,(H,28,31)
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| InChIKey |
ZLQVHSRVJCLIFD-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