General Information of the Compound
| Compound ID |
CP0381542
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| Compound Name |
1-[3-[2-(tert-butyl)-1H-4-imidazolyl]-2-[5-oxo-(2S)-tetrahydro-1H-2-pyrrolylcarboxamido]-(2S)-propanoyl]-(2S)-tetrahydro-1H-2-pyrrolecarboxamide
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| Structure |
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| Formula |
C20H30N6O4
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| Molecular Weight |
418.498
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| Canonical SMILES |
CC(C)(C)c1ncc(C[C@H](NC(=O)[C@@H]2CCC(=O)N2)C(=O)N2CCC[C@H]2C(N)=O)[nH]1
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| InChI |
InChI=1S/C20H30N6O4/c1-20(2,3)19-22-10-11(23-19)9-13(25-17(29)12-6-7-15(27)24-12)18(30)26-8-4-5-14(26)16(21)28/h10,12-14H,4-9H2,1-3H3,(H2,21,28)(H,22,23)(H,24,27)(H,25,29)/t12-,13-,14-/m0/s1
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| InChIKey |
QHZBXEVAWYKZHF-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: PT03712, Thyrotropin-releasing hormone receptor
Protein ID: PT09875, Thyrotropin-releasing hormone receptor 2