General Information of the Compound
| Compound ID |
CP0378159
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| Compound Name |
(3R,5R)-N-[(2R)-1-[4-(tert-butylcarbamoyl)-4-cyclohexylpiperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-3,5-diethylpiperazine-1-carboxamide
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| Structure |
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| Formula |
C34H54FN5O3
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| Molecular Weight |
599.836
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| Canonical SMILES |
CC[C@@H]1CN(C[C@@H](CC)N1)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/C34H54FN5O3/c1-6-27-22-40(23-28(7-2)36-27)32(43)37-29(21-24-13-15-26(35)16-14-24)30(41)39-19-17-34(18-20-39,25-11-9-8-10-12-25)31(42)38-33(3,4)5/h13-16,25,27-29,36H,6-12,17-23H2,1-5H3,(H,37,43)(H,38,42)/t27-,28-,29-/m1/s1
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| InChIKey |
ZQDYFCAQLYEQJM-MPFGFTFXSA-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
Protein ID: PT00911, Melanocyte-stimulating hormone receptor