General Information of the Compound
| Compound ID |
CP0848540
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| Compound Name |
N-((S)-1-((S)-2-carbamoylpyrrolidin-1-yl)-1-oxo-3-(2-propyl-1H-imidazol-4-yl)propan-2-yl)-5-methylpyrazine-2-carboxamide
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| Structure |
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| Formula |
C20H27N7O3
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| Molecular Weight |
413.482
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| Canonical SMILES |
CCCc1nc(C[C@H](NC(=O)c2cnc(C)cn2)C(=O)N2CCC[C@H]2C(N)=O)c[nH]1
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| InChI |
InChI=1S/C20H27N7O3/c1-3-5-17-24-10-13(25-17)8-14(20(30)27-7-4-6-16(27)18(21)28)26-19(29)15-11-22-12(2)9-23-15/h9-11,14,16H,3-8H2,1-2H3,(H2,21,28)(H,24,25)(H,26,29)/t14-,16-/m0/s1
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| InChIKey |
NPLIIIBZQXQGPW-HOCLYGCPSA-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: PT00626, Thyrotropin-releasing hormone receptor
Protein ID: PT04668, Thyrotropin-releasing hormone receptor