General Information of the Compound
| Compound ID |
CP0380484
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| Compound Name |
N-[(2S)-3-(4-bromo-1H-imidazol-5-yl)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxopropan-2-yl]-5-methylpyrazine-2-carboxamide
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| Structure |
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| Formula |
C17H20BrN7O3
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| Molecular Weight |
450.297
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| Canonical SMILES |
Cc1cnc(cn1)C(=O)N[C@@H](Cc1nc[nH]c1Br)C(=O)N1CCC[C@H]1C(N)=O
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| InChI |
InChI=1S/C17H20BrN7O3/c1-9-6-21-12(7-20-9)16(27)24-11(5-10-14(18)23-8-22-10)17(28)25-4-2-3-13(25)15(19)26/h6-8,11,13H,2-5H2,1H3,(H2,19,26)(H,22,23)(H,24,27)/t11-,13-/m0/s1
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| InChIKey |
JDIARTVEJLXNKZ-AAEUAGOBSA-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