General Information of the Compound
| Compound ID |
CP0513079
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| Compound Name |
(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-(3-fluoro-4-methoxyphenyl)-N-(5-fluoropyridin-2-yl)cyclopropane-1-carboxamide
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| Structure |
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| Formula |
C23H22F2N4O3
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| Molecular Weight |
440.45
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| Canonical SMILES |
COc1ccc(cc1F)[C@]1(COc2cnc(C)nc2C)C[C@H]1C(=O)Nc1ccc(F)cn1
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| InChI |
InChI=1S/C23H22F2N4O3/c1-13-20(11-26-14(2)28-13)32-12-23(15-4-6-19(31-3)18(25)8-15)9-17(23)22(30)29-21-7-5-16(24)10-27-21/h4-8,10-11,17H,9,12H2,1-3H3,(H,27,29,30)/t17-,23+/m0/s1
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| InChIKey |
PKCHWHMQABQDIP-GAJHUEQPSA-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