General Information of the Compound
| Compound ID |
CP0376144
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| Compound Name |
(1S)-[2-{4-[2-methyl-3-(2-methoxy-4-chlorophenyl)propionyl]-1-piperazinyl}-5-(trifluoromethyl)phenyl]-3-methylbutylamine
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| Structure |
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| Formula |
C27H35ClF3N3O2
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| Molecular Weight |
526.043
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| Canonical SMILES |
COc1cc(Cl)ccc1CC(C)C(=O)N1CCN(CC1)c1ccc(cc1[C@@H](N)CC(C)C)C(F)(F)F
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| InChI |
InChI=1S/C27H35ClF3N3O2/c1-17(2)13-23(32)22-15-20(27(29,30)31)6-8-24(22)33-9-11-34(12-10-33)26(35)18(3)14-19-5-7-21(28)16-25(19)36-4/h5-8,15-18,23H,9-14,32H2,1-4H3/t18?,23-/m0/s1
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| InChIKey |
HQACQGVVMYJUAG-IMMUGOHXSA-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