General Information of the Compound
| Compound ID |
CP0385687
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| Compound Name |
(2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1-ethyl-2,5-diiodoimidazol-4-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C18H24I2N6O4
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| Molecular Weight |
642.236
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| Canonical SMILES |
CCn1c(I)nc(C[C@H](NC(=O)[C@@H]2CCC(=O)N2)C(=O)N2CCC[C@H]2C(N)=O)c1I
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| InChI |
InChI=1S/C18H24I2N6O4/c1-2-25-14(19)10(24-18(25)20)8-11(23-16(29)9-5-6-13(27)22-9)17(30)26-7-3-4-12(26)15(21)28/h9,11-12H,2-8H2,1H3,(H2,21,28)(H,22,27)(H,23,29)/t9-,11-,12-/m0/s1
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| InChIKey |
MYMJQRIIXGBYRP-DLOVCJGASA-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