General Information of the Compound
| Compound ID |
CP0395536
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| Compound Name |
N-[2-[3-(5-fluoropyridin-2-yl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide
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| Structure |
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| Formula |
C20H18FN7O
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| Molecular Weight |
391.41
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| Canonical SMILES |
Cc1ccc(c(c1)C(=O)NCCn1ccc(n1)-c1ccc(F)cn1)-n1nccn1
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| InChI |
InChI=1S/C20H18FN7O/c1-14-2-5-19(28-24-7-8-25-28)16(12-14)20(29)22-9-11-27-10-6-18(26-27)17-4-3-15(21)13-23-17/h2-8,10,12-13H,9,11H2,1H3,(H,22,29)
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| InChIKey |
NAHUIASVYYTMTJ-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: PT01132, Orexin receptor type 2
Protein ID: PT02001, Orexin/Hypocretin receptor type 1