General Information of the Compound
| Compound ID |
CP0445954
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| Compound Name |
2-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
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| Structure |
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| Formula |
C25H26N6O2
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| Molecular Weight |
442.523
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| Canonical SMILES |
COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)NC2CCCc3ccccc23)nn1
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| InChI |
InChI=1S/C25H26N6O2/c1-17-13-30(16-26-17)23-11-10-19(12-24(23)33-2)22-14-31(29-28-22)15-25(32)27-21-9-5-7-18-6-3-4-8-20(18)21/h3-4,6,8,10-14,16,21H,5,7,9,15H2,1-2H3,(H,27,32)
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| InChIKey |
YROXGJJAGVMPAG-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