General Information of the Compound
| Compound ID |
CP0439397
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| Compound Name |
Ac-His-DPhe(pt-Bu)-Arg-Trp-NH2
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| Structure |
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| Formula |
C38H51N11O5
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| Molecular Weight |
741.898
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(cc1)C(C)(C)C)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/C38H51N11O5/c1-22(50)46-32(18-26-20-42-21-45-26)36(54)49-31(16-23-11-13-25(14-12-23)38(2,3)4)35(53)47-29(10-7-15-43-37(40)41)34(52)48-30(33(39)51)17-24-19-44-28-9-6-5-8-27(24)28/h5-6,8-9,11-14,19-21,29-32,44H,7,10,15-18H2,1-4H3,(H2,39,51)(H,42,45)(H,46,50)(H,47,53)(H,48,52)(H,49,54)(H4,40,41,43)/t29-,30-,31+,32-/m0/s1
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| InChIKey |
MMUWWLSBKXUHNW-IHZBLBIESA-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: PT01431, Melanocortin receptor 4
Protein ID: PT01528, Melanocortin receptor 5
Protein ID: PT01440, Melanocyte-stimulating hormone receptor