General Information of the Compound
| Compound ID |
CP0297662
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| Compound Name |
5-[2-(1,3-benzodioxol-5-ylmethylamino)pyridin-3-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-amine
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| Structure |
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| Formula |
C23H19N5O5
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| Molecular Weight |
445.435
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| Canonical SMILES |
C(Nc1ncccc1-c1nnc(Nc2ccc3OCCOc3c2)o1)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C23H19N5O5/c1-2-16(21(24-7-1)25-12-14-3-5-18-19(10-14)32-13-31-18)22-27-28-23(33-22)26-15-4-6-17-20(11-15)30-9-8-29-17/h1-7,10-11H,8-9,12-13H2,(H,24,25)(H,26,28)
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| InChIKey |
KYOSYSVVBKBSHD-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