General Information of the Compound
| Compound ID |
CP0422736
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| Compound Name |
3-(5-benzyl-1H-1,2,4-triazol-3-yl)-6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one
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| Structure |
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| Formula |
C26H28N4O4
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| Molecular Weight |
460.534
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| Canonical SMILES |
CCCCc1[nH]c(=O)c(-c2n[nH]c(Cc3ccccc3)n2)c(O)c1-c1c(OC)cccc1OC
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| InChI |
InChI=1S/C26H28N4O4/c1-4-5-12-17-21(22-18(33-2)13-9-14-19(22)34-3)24(31)23(26(32)27-17)25-28-20(29-30-25)15-16-10-7-6-8-11-16/h6-11,13-14H,4-5,12,15H2,1-3H3,(H2,27,31,32)(H,28,29,30)
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| InChIKey |
YAJZJAPEVBEKCT-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
Protein ID: PT05078, Apelin receptor
Protein ID: PT06297, Apelin receptor