General Information of the Compound
| Compound ID |
CP0472863
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| Compound Name |
2-[4-[4-benzyl-5-(ethoxymethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
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| Structure |
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| Formula |
C22H27N5O
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| Molecular Weight |
377.492
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| Canonical SMILES |
CCOCc1nnc(C2CCN(CC2)c2ccccn2)n1Cc1ccccc1
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| InChI |
InChI=1S/C22H27N5O/c1-2-28-17-21-24-25-22(27(21)16-18-8-4-3-5-9-18)19-11-14-26(15-12-19)20-10-6-7-13-23-20/h3-10,13,19H,2,11-12,14-17H2,1H3
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| InChIKey |
WMEDONINTXICMM-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