General Information of the Compound
| Compound ID |
CP0531086
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| Compound Name |
N-[2-[4-(5-fluoropyridin-2-yl)pyrazol-1-yl]ethyl]-N,5-dimethyl-2-(triazol-2-yl)benzamide
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| Structure |
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| Formula |
C21H20FN7O
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| Molecular Weight |
405.437
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| Canonical SMILES |
CN(CCn1cc(cn1)-c1ccc(F)cn1)C(=O)c1cc(C)ccc1-n1nccn1
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| InChI |
InChI=1S/C21H20FN7O/c1-15-3-6-20(29-24-7-8-25-29)18(11-15)21(30)27(2)9-10-28-14-16(12-26-28)19-5-4-17(22)13-23-19/h3-8,11-14H,9-10H2,1-2H3
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| InChIKey |
WQFVGTASYSVBKL-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