General Information of the Compound
| Compound ID |
CP0380507
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| Compound Name |
N-[(2S)-3-(1-benzyl-2,5-diiodoimidazol-4-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 |
C24H25I2N7O3
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| Molecular Weight |
713.318
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| Canonical SMILES |
Cc1cnc(cn1)C(=O)N[C@@H](Cc1nc(I)n(Cc2ccccc2)c1I)C(=O)N1CCC[C@H]1C(N)=O
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| InChI |
InChI=1S/C24H25I2N7O3/c1-14-11-29-18(12-28-14)22(35)30-17(23(36)32-9-5-8-19(32)21(27)34)10-16-20(25)33(24(26)31-16)13-15-6-3-2-4-7-15/h2-4,6-7,11-12,17,19H,5,8-10,13H2,1H3,(H2,27,34)(H,30,35)/t17-,19-/m0/s1
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| InChIKey |
MGMBZWXSOMMHMC-HKUYNNGSSA-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