General Information of the Compound
| Compound ID |
CP0392457
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| Compound Name |
(2S)-N-[(2S)-3-(1-benzyl-2-bromoimidazol-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 |
C23H27BrN6O4
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| Molecular Weight |
531.411
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| Canonical SMILES |
NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cn(Cc2ccccc2)c(Br)n1)NC(=O)[C@@H]1CCC(=O)N1
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| InChI |
InChI=1S/C23H27BrN6O4/c24-23-26-15(13-29(23)12-14-5-2-1-3-6-14)11-17(28-21(33)16-8-9-19(31)27-16)22(34)30-10-4-7-18(30)20(25)32/h1-3,5-6,13,16-18H,4,7-12H2,(H2,25,32)(H,27,31)(H,28,33)/t16-,17-,18-/m0/s1
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| InChIKey |
MCTSLSUHNRJPGD-BZSNNMDCSA-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