General Information of the Compound
| Compound ID |
CP0032233
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| Compound Name |
5-[5-(hydroxymethyl)pyridin-3-yl]-N-(oxan-4-ylmethyl)-1H-indazole-3-carboxamide
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| Structure |
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| Formula |
C20H22N4O3
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| Molecular Weight |
366.421
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| Canonical SMILES |
OCc1cncc(c1)-c1ccc2[nH]nc(C(=O)NCC3CCOCC3)c2c1
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| InChI |
InChI=1S/C20H22N4O3/c25-12-14-7-16(11-21-9-14)15-1-2-18-17(8-15)19(24-23-18)20(26)22-10-13-3-5-27-6-4-13/h1-2,7-9,11,13,25H,3-6,10,12H2,(H,22,26)(H,23,24)
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| InChIKey |
HMUYSTSHIXJVRO-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: PT00962, Glycogen synthase kinase-3 beta
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2