General Information of the Compound
| Compound ID |
CP0311473
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| Compound Name |
US11332473, Compound 1.45
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| Structure |
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| Formula |
C28H30N8O
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| Molecular Weight |
494.603
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| Canonical SMILES |
CC(C)n1n(-c2cccc(n2)C2(CC2)C#N)c2nc(Nc3ccc4c(CCNC4(C)C)c3)ncc2c1=O
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| InChI |
InChI=1S/C28H30N8O/c1-17(2)35-25(37)20-15-30-26(32-19-8-9-21-18(14-19)10-13-31-27(21,3)4)34-24(20)36(35)23-7-5-6-22(33-23)28(16-29)11-12-28/h5-9,14-15,17,31H,10-13H2,1-4H3,(H,30,32,34)
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| InChIKey |
ULLQYJJZNPEMPB-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