General Information of the Compound
| Compound ID |
CP0391989
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| Compound Name |
(1S,4R,6S)-2-Aza-bicyclo[2.2.2]octane-6-carboxylic acid [(R)-2-(4-tert-butylcarbamoyl-4-cyclohexyl-piperidin-1-yl)-1-(4-fluoro-benzyl)-2-oxo-ethyl]-amide
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| Structure |
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| Formula |
C33H49FN4O3
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| Molecular Weight |
568.778
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| Canonical SMILES |
CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H]1C[C@H]2CC[C@@H]1NC2)C1CCCCC1
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| InChI |
InChI=1S/C33H49FN4O3/c1-32(2,3)37-31(41)33(24-7-5-4-6-8-24)15-17-38(18-16-33)30(40)28(20-22-9-12-25(34)13-10-22)36-29(39)26-19-23-11-14-27(26)35-21-23/h9-10,12-13,23-24,26-28,35H,4-8,11,14-21H2,1-3H3,(H,36,39)(H,37,41)/t23-,26+,27+,28-/m1/s1
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| InChIKey |
KHTORJRLHSSEND-HBMTYJCASA-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: PT01325, Melanocortin receptor 3
Protein ID: PT00914, Melanocortin receptor 4
Protein ID: PT01804, Melanocortin receptor 5