General Information of the Compound
| Compound ID |
CP0446901
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| Compound Name |
N-ethyl-N-[(2S)-1-[5-(5-fluoropyridin-2-yl)tetrazol-2-yl]propan-2-yl]-5-methyl-2-pyrimidin-2-ylbenzamide
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| Structure |
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| Formula |
C23H23FN8O
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| Molecular Weight |
446.49
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| Canonical SMILES |
CCN([C@@H](C)Cn1nnc(n1)-c1ccc(F)cn1)C(=O)c1cc(C)ccc1-c1ncccn1
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| InChI |
InChI=1S/C23H23FN8O/c1-4-31(16(3)14-32-29-22(28-30-32)20-9-7-17(24)13-27-20)23(33)19-12-15(2)6-8-18(19)21-25-10-5-11-26-21/h5-13,16H,4,14H2,1-3H3/t16-/m0/s1
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| InChIKey |
PPEFAUONQBKWLW-INIZCTEOSA-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