General Information of the Compound
| Compound ID |
CP0495655
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| Compound Name |
N-pyridin-3-yl-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide
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| Structure |
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| Formula |
C14H18N6O2
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| Molecular Weight |
302.338
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| Canonical SMILES |
O=C(CN1CCOC(Cn2cncn2)C1)Nc1cccnc1
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| InChI |
InChI=1S/C14H18N6O2/c21-14(18-12-2-1-3-15-6-12)9-19-4-5-22-13(7-19)8-20-11-16-10-17-20/h1-3,6,10-11,13H,4-5,7-9H2,(H,18,21)
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| InChIKey |
XDMMUAUNKJNHNN-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