General Information of the Compound
| Compound ID |
CP0449551
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| Compound Name |
N-(oxan-4-ylmethyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine
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| Structure |
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| Formula |
C20H21N5O
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| Molecular Weight |
347.422
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| Canonical SMILES |
C(Nc1nc(nnc1-c1ccccc1)-c1ccccn1)C1CCOCC1
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| InChI |
InChI=1S/C20H21N5O/c1-2-6-16(7-3-1)18-20(22-14-15-9-12-26-13-10-15)23-19(25-24-18)17-8-4-5-11-21-17/h1-8,11,15H,9-10,12-14H2,(H,22,23,25)
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| InChIKey |
KZNIUIZTJHSHOI-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