General Information of the Compound
| Compound ID |
CP0511741
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| Compound Name |
N-ethyl-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 |
C23H24FN7O
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| Molecular Weight |
433.491
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| Canonical SMILES |
CCN([C@@H](C)Cn1ccc(n1)-c1ccc(F)cn1)C(=O)c1cc(C)ccc1-n1nccn1
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| InChI |
InChI=1S/C23H24FN7O/c1-4-30(23(32)19-13-16(2)5-8-22(19)31-26-10-11-27-31)17(3)15-29-12-9-21(28-29)20-7-6-18(24)14-25-20/h5-14,17H,4,15H2,1-3H3/t17-/m0/s1
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| InChIKey |
UCTMYARPCLQYDJ-KRWDZBQOSA-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