General Information of the Compound
| Compound ID |
CP0413655
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| Compound Name |
[1-(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)piperidin-4-yl]methanol
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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 |
OCC1CCN(CC1)c1nc(nnc1-c1ccccc1)-c1ccccn1
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| InChI |
InChI=1S/C20H21N5O/c26-14-15-9-12-25(13-10-15)20-18(16-6-2-1-3-7-16)23-24-19(22-20)17-8-4-5-11-21-17/h1-8,11,15,26H,9-10,12-14H2
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| InChIKey |
VGPKJHVAVZKEKA-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