General Information of the Compound
| Compound ID |
CP0085419
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| Compound Name |
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[2-(quinolin-6-ylmethylamino)pyridin-3-yl]-1,3,4-oxadiazol-2-amine
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| Structure |
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| Formula |
C25H20N6O3
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| Molecular Weight |
452.474
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| Canonical SMILES |
C(Nc1ncccc1-c1nnc(Nc2ccc3OCCOc3c2)o1)c1ccc2ncccc2c1
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| InChI |
InChI=1S/C25H20N6O3/c1-3-17-13-16(5-7-20(17)26-9-1)15-28-23-19(4-2-10-27-23)24-30-31-25(34-24)29-18-6-8-21-22(14-18)33-12-11-32-21/h1-10,13-14H,11-12,15H2,(H,27,28)(H,29,31)
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| InChIKey |
VONBBGSUHPATAK-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