General Information of the Compound
| Compound ID |
CP0416340
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| Compound Name |
Ac-His-D-Phe-Arg-His-NH2
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| Structure |
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| Formula |
C29H40N12O5
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| Molecular Weight |
636.718
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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](Cc1cnc[nH]1)C(N)=O
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| InChI |
InChI=1S/C29H40N12O5/c1-17(42)38-24(12-20-14-34-16-37-20)28(46)41-23(10-18-6-3-2-4-7-18)27(45)39-21(8-5-9-35-29(31)32)26(44)40-22(25(30)43)11-19-13-33-15-36-19/h2-4,6-7,13-16,21-24H,5,8-12H2,1H3,(H2,30,43)(H,33,36)(H,34,37)(H,38,42)(H,39,45)(H,40,44)(H,41,46)(H4,31,32,35)/t21-,22+,23-,24-/m0/s1
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| InChIKey |
MRXXHRTVXCNCKC-KIHHCIJBSA-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