General Information of the Compound
| Compound ID |
CP0453047
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| Compound Name |
(1S)-(2-{4-[(2R)-methyl-3-(4-chlorophenyl)propionyl]-1-piperazinyl}-5-methylphenyl)-3-methylbutylamine
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| Structure |
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| Formula |
C26H36ClN3O
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| Molecular Weight |
442.047
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| Canonical SMILES |
CC(C)C[C@H](N)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1
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| InChI |
InChI=1S/C26H36ClN3O/c1-18(2)15-24(28)23-16-19(3)5-10-25(23)29-11-13-30(14-12-29)26(31)20(4)17-21-6-8-22(27)9-7-21/h5-10,16,18,20,24H,11-15,17,28H2,1-4H3/t20-,24+/m1/s1
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| InChIKey |
RZLPZBLBQNNVLZ-YKSBVNFPSA-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