General Information of the Compound
| Compound ID |
CP0849355
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| Compound Name |
N-((S)-1-((S)-2-carbamoylpyrrolidin-1-yl)-3-(2,5-diiodo-1H-imidazol-4-yl)-1-oxopropan-2-yl)pyrazine-2-carboxamide
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| Structure |
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| Formula |
C16H17I2N7O3
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| Molecular Weight |
609.166
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| Canonical SMILES |
NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1nc(I)[nH]c1I)NC(=O)c1cnccn1
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| InChI |
InChI=1S/C16H17I2N7O3/c17-12-8(23-16(18)24-12)6-9(22-14(27)10-7-20-3-4-21-10)15(28)25-5-1-2-11(25)13(19)26/h3-4,7,9,11H,1-2,5-6H2,(H2,19,26)(H,22,27)(H,23,24)/t9-,11-/m0/s1
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| InChIKey |
PBNFVLRTBHZJGT-ONGXEEELSA-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