General Information of the Compound
| Compound ID |
CP0425206
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| Compound Name |
Ac-Nle4-cyclo(Asp5-His6-D-Nal(2)-Pro8-Trp9-Lys10)-NH2
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| Structure |
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| Formula |
C53H66N12O9
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| Molecular Weight |
1015.186
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| Canonical SMILES |
CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
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| InChI |
InChI=1S/C53H66N12O9/c1-3-4-15-40(58-31(2)66)48(69)62-43-28-46(67)56-21-10-9-17-39(47(54)68)60-49(70)41(26-36-25-35-14-7-8-16-38(35)59-36)63-52(73)45-18-11-22-65(45)53(74)44(24-32-19-20-33-12-5-6-13-34(33)23-32)64-50(71)42(61-51(43)72)27-37-29-55-30-57-37/h5-8,12-14,16,19-20,23,25,29-30,39-45,59H,3-4,9-11,15,17-18,21-22,24,26-28H2,1-2H3,(H2,54,68)(H,55,57)(H,56,67)(H,58,66)(H,60,70)(H,61,72)(H,62,69)(H,63,73)(H,64,71)/t39-,40-,41-,42-,43-,44+,45-/m0/s1
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| InChIKey |
ZWUGIRDPPFGGRP-GTBIJRGCSA-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