General Information of the Compound
| Compound ID |
CP0307728
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| Compound Name |
3-(5-(benzo[d][1,3]dioxol-5-yl)-4H-1,2,4-triazol-3-yl)-N-(pyridin-4-ylmethyl)pyridin-2-amine
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| Structure |
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| Formula |
C20H16N6O2
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| Molecular Weight |
372.388
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| Canonical SMILES |
C(Nc1ncccc1-c1nnc([nH]1)-c1ccc2OCOc2c1)c1ccncc1
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| InChI |
InChI=1S/C20H16N6O2/c1-2-15(19(22-7-1)23-11-13-5-8-21-9-6-13)20-24-18(25-26-20)14-3-4-16-17(10-14)28-12-27-16/h1-10H,11-12H2,(H,22,23)(H,24,25,26)
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| InChIKey |
ABGLJSGHTCBIRA-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