General Information of the Compound
| Compound ID |
CP0431506
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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]pyrazine-2-carboxamide
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| Structure |
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| Formula |
C16H18BrN7O3
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| Molecular Weight |
436.27
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| Canonical SMILES |
NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1nc[nH]c1Br)NC(=O)c1cnccn1
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| InChI |
InChI=1S/C16H18BrN7O3/c17-13-9(21-8-22-13)6-10(23-15(26)11-7-19-3-4-20-11)16(27)24-5-1-2-12(24)14(18)25/h3-4,7-8,10,12H,1-2,5-6H2,(H2,18,25)(H,21,22)(H,23,26)/t10-,12-/m0/s1
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| InChIKey |
RQSDXZRJCGCOEC-JQWIXIFHSA-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