General Information of the Compound
| Compound ID |
CP0313292
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| Compound Name |
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[2-(2-pyridin-4-ylethylamino)pyridin-3-yl]-1,3,4-oxadiazol-2-amine
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| Structure |
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| Formula |
C22H20N6O3
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| Molecular Weight |
416.441
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| Canonical SMILES |
C(Cc1ccncc1)Nc1ncccc1-c1nnc(Nc2ccc3OCCOc3c2)o1
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| InChI |
InChI=1S/C22H20N6O3/c1-2-17(20(24-8-1)25-11-7-15-5-9-23-10-6-15)21-27-28-22(31-21)26-16-3-4-18-19(14-16)30-13-12-29-18/h1-6,8-10,14H,7,11-13H2,(H,24,25)(H,26,28)
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| InChIKey |
GQWOYDSRMCLAPK-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