General Information of the Compound
| Compound ID |
CP0867216
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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)pyrazine-2-carboxamide
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| Structure |
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| Formula |
C19H25N7O3
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| Molecular Weight |
399.455
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| Canonical SMILES |
CCCc1nc(C[C@H](NC(=O)c2cnccn2)C(=O)N2CCC[C@H]2C(N)=O)c[nH]1
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| InChI |
InChI=1S/C19H25N7O3/c1-2-4-16-23-10-12(24-16)9-13(25-18(28)14-11-21-6-7-22-14)19(29)26-8-3-5-15(26)17(20)27/h6-7,10-11,13,15H,2-5,8-9H2,1H3,(H2,20,27)(H,23,24)(H,25,28)/t13-,15-/m0/s1
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| InChIKey |
UMCNKHFFWCXFKE-ZFWWWQNUSA-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