General Information of the Compound
| Compound ID |
CP0882669
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| Compound Name |
Ac-Nle4-cyclo(Asp5-Val6-D-4,4'-Bip7-Pip8-Trp9-Lys10)-NH2
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| Structure |
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| Formula |
C55H72N10O9
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| Molecular Weight |
1017.242
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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](C(C)C)NC1=O
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| InChI |
InChI=1S/C55H72N10O9/c1-5-6-19-42(59-34(4)66)50(69)61-44-31-47(67)57-27-14-12-21-41(49(56)68)60-51(70)43(30-38-32-58-40-20-11-10-18-39(38)40)62-53(72)46-22-13-15-28-65(46)55(74)45(63-54(73)48(33(2)3)64-52(44)71)29-35-23-25-37(26-24-35)36-16-8-7-9-17-36/h7-11,16-18,20,23-26,32-33,41-46,48,58H,5-6,12-15,19,21-22,27-31H2,1-4H3,(H2,56,68)(H,57,67)(H,59,66)(H,60,70)(H,61,69)(H,62,72)(H,63,73)(H,64,71)/t41-,42-,43-,44-,45-,46-,48-/m0/s1
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| InChIKey |
IQSWKOJGUWKVIB-KBZSXKIQSA-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