General Information of the Compound
| Compound ID |
CP0377912
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| Compound Name |
(1R,4S,6R)-2-Methyl-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 |
C34H51FN4O3
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| Molecular Weight |
582.805
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| Canonical SMILES |
CN1C[C@H]2CC[C@@H]1[C@@H](C2)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C
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| InChI |
InChI=1S/C34H51FN4O3/c1-33(2,3)37-32(42)34(25-8-6-5-7-9-25)16-18-39(19-17-34)31(41)28(21-23-10-13-26(35)14-11-23)36-30(40)27-20-24-12-15-29(27)38(4)22-24/h10-11,13-14,24-25,27-29H,5-9,12,15-22H2,1-4H3,(H,36,40)(H,37,42)/t24-,27+,28+,29+/m0/s1
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| InChIKey |
ARFBDECCXOFCBN-HOLBEBDISA-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: PT02925, Adrenocorticotropic hormone receptor
Protein ID: PT04007, Melanocortin receptor 4
Protein ID: PT01431, Melanocortin receptor 4
Protein ID: PT00914, Melanocortin receptor 4