General Information of the Compound
| Compound ID |
CP0855549
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| Compound Name |
Ac-Nle4-cyclo(Asp5-Oic6-D-4,4'-Bip7-Pro8-Trp9-Lys10)-NH2
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| Structure |
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| Formula |
C58H74N10O9
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| Molecular Weight |
1055.291
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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]2CCCN2C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@@H]2CC3CCCCC3N2C1=O
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| InChI |
InChI=1S/C58H74N10O9/c1-3-4-19-44(62-35(2)69)53(72)65-47-33-51(70)60-28-13-12-21-43(52(59)71)63-54(73)45(31-40-34-61-42-20-10-9-18-41(40)42)64-55(74)49-23-14-29-67(49)57(76)46(30-36-24-26-38(27-25-36)37-15-6-5-7-16-37)66-56(75)50-32-39-17-8-11-22-48(39)68(50)58(47)77/h5-7,9-10,15-16,18,20,24-27,34,39,43-50,61H,3-4,8,11-14,17,19,21-23,28-33H2,1-2H3,(H2,59,71)(H,60,70)(H,62,69)(H,63,73)(H,64,74)(H,65,72)(H,66,75)/t39?,43-,44-,45-,46-,47-,48?,49-,50-/m0/s1
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| InChIKey |
GDBQVVGENJRXGO-WKZCDKSUSA-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