General Information of the Compound
| Compound ID |
CP0411985
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| Compound Name |
1-methyl-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)pyrrolo[2,3-b]pyridine-6-carboxamide
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| Structure |
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| Formula |
C25H26N4O3
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| Molecular Weight |
430.508
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| Canonical SMILES |
Cc1nc(co1)-c1ccc(Cc2cc(nc3n(C)ccc23)C(=O)NC2CCOCC2)cc1
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| InChI |
InChI=1S/C25H26N4O3/c1-16-26-23(15-32-16)18-5-3-17(4-6-18)13-19-14-22(28-24-21(19)7-10-29(24)2)25(30)27-20-8-11-31-12-9-20/h3-7,10,14-15,20H,8-9,11-13H2,1-2H3,(H,27,30)
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| InChIKey |
SZTNTRFLKJKTFT-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