General Information of the Compound
| Compound ID |
CP0844893
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| Compound Name |
Ac-Nle4-cyclo(Asp5-His6-D-4,4'-Bip7-Pip8-Trp9-Lys10)-NH2
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| Structure |
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| Formula |
C56H70N12O9
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| Molecular Weight |
1055.251
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| Canonical SMILES |
CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCCN2C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O
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| InChI |
InChI=1S/C56H70N12O9/c1-3-4-17-43(62-34(2)69)51(72)65-46-30-49(70)59-25-12-10-19-42(50(57)71)63-52(73)44(28-38-31-60-41-18-9-8-16-40(38)41)66-55(76)48-20-11-13-26-68(48)56(77)47(27-35-21-23-37(24-22-35)36-14-6-5-7-15-36)67-53(74)45(64-54(46)75)29-39-32-58-33-61-39/h5-9,14-16,18,21-24,31-33,42-48,60H,3-4,10-13,17,19-20,25-30H2,1-2H3,(H2,57,71)(H,58,61)(H,59,70)(H,62,69)(H,63,73)(H,64,75)(H,65,72)(H,66,76)(H,67,74)/t42-,43-,44-,45-,46-,47-,48-/m0/s1
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| InChIKey |
TWDTYJMEGITLBP-GEUARITBSA-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