General Information of the Compound
| Compound ID |
CP0297399
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| Compound Name |
N-(1,3-benzodioxol-5-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 |
C21H18N6O3
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| Molecular Weight |
402.414
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| Canonical SMILES |
C(Cc1ccncc1)Nc1ncccc1-c1nnc(Nc2ccc3OCOc3c2)o1
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| InChI |
InChI=1S/C21H18N6O3/c1-2-16(19(23-8-1)24-11-7-14-5-9-22-10-6-14)20-26-27-21(30-20)25-15-3-4-17-18(12-15)29-13-28-17/h1-6,8-10,12H,7,11,13H2,(H,23,24)(H,25,27)
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| InChIKey |
DMPQQLLVJQCBDH-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