General Information of the Compound
| Compound ID |
CP0458289
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| Compound Name |
N-[(2S)-1-[3-(5-fluoropyridin-2-yl)pyrazol-1-yl]propan-2-yl]-5-methyl-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 |
C[C@@H](Cn1ccc(n1)-c1ccc(F)cn1)NC(=O)c1cc(C)ccc1-n1nccn1
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| InChI |
InChI=1S/C21H20FN7O/c1-14-3-6-20(29-24-8-9-25-29)17(11-14)21(30)26-15(2)13-28-10-7-19(27-28)18-5-4-16(22)12-23-18/h3-12,15H,13H2,1-2H3,(H,26,30)/t15-/m0/s1
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| InChIKey |
DHUXPQFVWPBKMT-HNNXBMFYSA-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