General Information of the Compound
| Compound ID |
CP0396849
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| Compound Name |
1-[(3-methyloxetan-3-yl)methyl]-3-pyridin-4-ylpyrrolo[2,3-c]pyridine
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| Structure |
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| Formula |
C17H17N3O
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| Molecular Weight |
279.343
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| Canonical SMILES |
CC1(Cn2cc(-c3ccncc3)c3ccncc23)COC1
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| InChI |
InChI=1S/C17H17N3O/c1-17(11-21-12-17)10-20-9-15(13-2-5-18-6-3-13)14-4-7-19-8-16(14)20/h2-9H,10-12H2,1H3
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| InChIKey |
SNTQSJLLVJJTOM-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
Protein ID: PT01592, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
Protein ID: PT00962, Glycogen synthase kinase-3 beta
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2