General Information of the Compound
| Compound ID |
CP0412640
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| Compound Name |
N-(2,2-dimethyloxan-4-yl)-1-methyl-4-[[6-(1-methylpyrazol-3-yl)pyridin-3-yl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide
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| Structure |
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| Formula |
C26H30N6O2
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| Molecular Weight |
458.566
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| Canonical SMILES |
Cn1ccc(n1)-c1ccc(Cc2cc(nc3n(C)ccc23)C(=O)NC2CCOC(C)(C)C2)cn1
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| InChI |
InChI=1S/C26H30N6O2/c1-26(2)15-19(9-12-34-26)28-25(33)23-14-18(20-7-10-31(3)24(20)29-23)13-17-5-6-21(27-16-17)22-8-11-32(4)30-22/h5-8,10-11,14,16,19H,9,12-13,15H2,1-4H3,(H,28,33)
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| InChIKey |
JPTMWXJBVKWMOU-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