General Information of the Compound
| Compound ID |
CP0423121
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| Compound Name |
Ac-His-DPhe(pCH3)-Arg-Trp-NH2
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| Structure |
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| Formula |
C35H45N11O5
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| Molecular Weight |
699.817
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(C)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
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| InChI |
InChI=1S/C35H45N11O5/c1-20-9-11-22(12-10-20)14-29(46-34(51)30(43-21(2)47)16-24-18-39-19-42-24)33(50)44-27(8-5-13-40-35(37)38)32(49)45-28(31(36)48)15-23-17-41-26-7-4-3-6-25(23)26/h3-4,6-7,9-12,17-19,27-30,41H,5,8,13-16H2,1-2H3,(H2,36,48)(H,39,42)(H,43,47)(H,44,50)(H,45,49)(H,46,51)(H4,37,38,40)/t27-,28-,29+,30-/m0/s1
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| InChIKey |
NBONRIOTXHNHPH-ZXYZSCNASA-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