General Information of the Compound
| Compound ID |
CP0404607
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| Compound Name |
(2S)-N-[(2S)-3-(1-benzyl-2,5-diiodoimidazol-4-yl)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C23H26I2N6O4
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| Molecular Weight |
704.307
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| Canonical SMILES |
NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1nc(I)n(Cc2ccccc2)c1I)NC(=O)[C@@H]1CCC(=O)N1
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| InChI |
InChI=1S/C23H26I2N6O4/c24-19-15(29-23(25)31(19)12-13-5-2-1-3-6-13)11-16(28-21(34)14-8-9-18(32)27-14)22(35)30-10-4-7-17(30)20(26)33/h1-3,5-6,14,16-17H,4,7-12H2,(H2,26,33)(H,27,32)(H,28,34)/t14-,16-,17-/m0/s1
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| InChIKey |
GTWVAFQZRLTJKI-XIRDDKMYSA-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