General Information of the Compound
| Compound ID |
CP0455429
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| Compound Name |
Ac-His-D-Phe-Arg-D-Phe-NH2
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| Structure |
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| Formula |
C32H42N10O5
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| Molecular Weight |
646.753
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C32H42N10O5/c1-20(43)39-27(17-23-18-36-19-38-23)31(47)42-26(16-22-11-6-3-7-12-22)30(46)40-24(13-8-14-37-32(34)35)29(45)41-25(28(33)44)15-21-9-4-2-5-10-21/h2-7,9-12,18-19,24-27H,8,13-17H2,1H3,(H2,33,44)(H,36,38)(H,39,43)(H,40,46)(H,41,45)(H,42,47)(H4,34,35,37)/t24-,25-,26-,27-/m0/s1
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| InChIKey |
LIEAUBZBWVCSAC-FWEHEUNISA-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: PT02450, Melanocortin receptor 3
Protein ID: PT01431, Melanocortin receptor 4
Protein ID: PT01528, Melanocortin receptor 5
Protein ID: PT01440, Melanocyte-stimulating hormone receptor