General Information of the Compound
| Compound ID |
CP0050225
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| Compound Name |
(R)-N-(3-(2,4-dichlorophenyl)-1-oxo-1-(4-(2-((2-(thiophen-2-yl)ethylamino)methyl)phenyl)piperazin-1-yl)propan-2-yl)acetamide
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| Structure |
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| Formula |
C28H32Cl2N4O2S
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| Molecular Weight |
559.563
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| Canonical SMILES |
CC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1
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| InChI |
InChI=1S/C28H32Cl2N4O2S/c1-20(35)32-26(17-21-8-9-23(29)18-25(21)30)28(36)34-14-12-33(13-15-34)27-7-3-2-5-22(27)19-31-11-10-24-6-4-16-37-24/h2-9,16,18,26,31H,10-15,17,19H2,1H3,(H,32,35)/t26-/m1/s1
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| InChIKey |
DHGVVSQOBPUMLY-AREMUKBSSA-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