General Information of the Compound
| Compound ID |
CP0516800
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| Compound Name |
US8802663, 105
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| Structure |
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| Formula |
C26H28N6O3
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| Molecular Weight |
472.549
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| Canonical SMILES |
CC(C)(C)Cn1ncc(-c2nc(no2)-c2ccc(CN3CC(C3)C(O)=O)cc2)c1-c1ccncc1
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| InChI |
InChI=1S/C26H28N6O3/c1-26(2,3)16-32-22(18-8-10-27-11-9-18)21(12-28-32)24-29-23(30-35-24)19-6-4-17(5-7-19)13-31-14-20(15-31)25(33)34/h4-12,20H,13-16H2,1-3H3,(H,33,34)
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| InChIKey |
WLJXFFUDTZYIJA-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