General Information of the Compound
| Compound ID |
CP0425108
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| Compound Name |
-(2R)-[2-aminoacetamido]-3-(4-chlorophenyl)propionyl-1-2-[(2-thienyl)ethylaminomethyl]phenyl piperazine
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| Structure |
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| Formula |
C28H34ClN5O2S
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| Molecular Weight |
540.133
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| Canonical SMILES |
NCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1
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| InChI |
InChI=1S/C28H34ClN5O2S/c29-23-9-7-21(8-10-23)18-25(32-27(35)19-30)28(36)34-15-13-33(14-16-34)26-6-2-1-4-22(26)20-31-12-11-24-5-3-17-37-24/h1-10,17,25,31H,11-16,18-20,30H2,(H,32,35)/t25-/m1/s1
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| InChIKey |
YEUMEJHOKABUMX-RUZDIDTESA-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