General Information of the Compound
| Compound ID |
CP0244995
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| Compound Name |
US11332473, Compound 1.38
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| Structure |
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| Formula |
C25H24N8O
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| Molecular Weight |
452.522
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| Canonical SMILES |
CCn1n(-c2cccc(n2)C2(CC2)C#N)c2nc(Nc3ccc4CCNCc4c3)ncc2c1=O
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| InChI |
InChI=1S/C25H24N8O/c1-2-32-23(34)19-14-28-24(29-18-7-6-16-8-11-27-13-17(16)12-18)31-22(19)33(32)21-5-3-4-20(30-21)25(15-26)9-10-25/h3-7,12,14,27H,2,8-11,13H2,1H3,(H,28,29,31)
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| InChIKey |
BQQPGJQMRMUCFZ-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