General Information of the Compound
| Compound ID |
CP0395789
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| Compound Name |
(1R,2S)-N-(5-cyanopyridin-2-yl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide
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| Structure |
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| Formula |
C23H20FN5O2
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| Molecular Weight |
417.444
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| Canonical SMILES |
Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2ccc(cn2)C#N)c2cccc(F)c2)c(C)n1
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| InChI |
InChI=1S/C23H20FN5O2/c1-14-20(12-26-15(2)28-14)31-13-23(17-4-3-5-18(24)8-17)9-19(23)22(30)29-21-7-6-16(10-25)11-27-21/h3-8,11-12,19H,9,13H2,1-2H3,(H,27,29,30)/t19-,23+/m0/s1
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| InChIKey |
ASYOFUWVHKKMKT-WMZHIEFXSA-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