General Information of the Compound
| Compound ID |
CP0393980
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| Compound Name |
1-[3-(2-cyclohexyl-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 |
C22H32N6O4
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| Molecular Weight |
444.536
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| Canonical SMILES |
NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc([nH]1)C1CCCCC1)NC(=O)[C@@H]1CCC(=O)N1
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| InChI |
InChI=1S/C22H32N6O4/c23-19(30)17-7-4-10-28(17)22(32)16(27-21(31)15-8-9-18(29)26-15)11-14-12-24-20(25-14)13-5-2-1-3-6-13/h12-13,15-17H,1-11H2,(H2,23,30)(H,24,25)(H,26,29)(H,27,31)/t15-,16-,17-/m0/s1
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| InChIKey |
BHFTUARIRMBSAP-ULQDDVLXSA-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