General Information of the Compound
| Compound ID |
CP0385924
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| Compound Name |
(2S)-N-[(2S)-3-(2-bromo-1-propylimidazol-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 |
C19H27BrN6O4
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| Molecular Weight |
483.367
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| Canonical SMILES |
CCCn1cc(C[C@H](NC(=O)[C@@H]2CCC(=O)N2)C(=O)N2CCC[C@H]2C(N)=O)nc1Br
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| InChI |
InChI=1S/C19H27BrN6O4/c1-2-7-25-10-11(22-19(25)20)9-13(24-17(29)12-5-6-15(27)23-12)18(30)26-8-3-4-14(26)16(21)28/h10,12-14H,2-9H2,1H3,(H2,21,28)(H,23,27)(H,24,29)/t12-,13-,14-/m0/s1
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| InChIKey |
VSTITNSXQQZXDD-IHRRRGAJSA-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