General Information of the Compound
| Compound ID |
CP0403779
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| Compound Name |
N-ethyl-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 |
C22H22FN7O
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| Molecular Weight |
419.464
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| Canonical SMILES |
CCN(CCn1ccc(n1)-c1ccc(F)cn1)C(=O)c1cc(C)ccc1-n1nccn1
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| InChI |
InChI=1S/C22H22FN7O/c1-3-28(12-13-29-11-8-20(27-29)19-6-5-17(23)15-24-19)22(31)18-14-16(2)4-7-21(18)30-25-9-10-26-30/h4-11,14-15H,3,12-13H2,1-2H3
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| InChIKey |
FMDLORLPXIAIMQ-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