General Information of the Compound
| Compound ID |
CP0311471
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| Compound Name |
US11332473, Compound 1.43
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| Structure |
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| Formula |
C26H26N8O
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| Molecular Weight |
466.549
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| Canonical SMILES |
CC(C)n1n(-c2cccc(n2)C2(CC2)C#N)c2nc(Nc3ccc4CNCCc4c3)ncc2c1=O
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| InChI |
InChI=1S/C26H26N8O/c1-16(2)33-24(35)20-14-29-25(30-19-7-6-18-13-28-11-8-17(18)12-19)32-23(20)34(33)22-5-3-4-21(31-22)26(15-27)9-10-26/h3-7,12,14,16,28H,8-11,13H2,1-2H3,(H,29,30,32)
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| InChIKey |
HIZFYZYRTXCLOS-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