General Information of the Compound
| Compound ID |
CP0863666
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| Compound Name |
H-Tyr-Val-Nle-Gly-Pro-Phe-Arg-D-Nal(2'')-Asp-Arg-Phe-Gly-NH2
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| Structure |
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| Formula |
C76H102N18O16
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| Molecular Weight |
1523.762
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| Canonical SMILES |
CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O
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| InChI |
InChI=1S/C76H102N18O16/c1-4-5-23-53(88-74(110)64(44(2)3)93-65(101)52(77)37-47-28-31-51(95)32-29-47)66(102)84-42-61(96)94-35-16-26-60(94)73(109)92-57(39-46-19-10-7-11-20-46)70(106)86-55(25-15-34-83-76(80)81)69(105)90-58(40-48-27-30-49-21-12-13-22-50(49)36-48)71(107)91-59(41-62(97)98)72(108)87-54(24-14-33-82-75(78)79)68(104)89-56(67(103)85-43-63(99)100)38-45-17-8-6-9-18-45/h6-13,17-22,27-32,36,44,52-60,64,95H,4-5,14-16,23-26,33-35,37-43,77H2,1-3H3,(H,84,102)(H,85,103)(H,86,106)(H,87,108)(H,88,110)(H,89,104)(H,90,105)(H,91,107)(H,92,109)(H,93,101)(H,97,98)(H,99,100)(H4,78,79,82)(H4,80,81,83)/t52-,53-,54-,55-,56-,57-,58+,59-,60-,64-/m0/s1
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| InChIKey |
YJCDHAJJLSUBDS-XRKFEHARSA-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