General Information of the Compound
| Compound ID |
CP0879920
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| Compound Name |
Ac-Nle4-cyclo(Asp5-Oic6-D-D-pBzlPhe7-Pip8-Trp9-Lys10)-NH2
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| Structure |
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| Formula |
C60H78N10O9
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| Molecular Weight |
1083.345
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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(Cc3ccccc3)cc2)NC(=O)[C@@H]2CC3CCCCC3N2C1=O
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| InChI |
InChI=1S/C60H78N10O9/c1-3-4-20-46(64-37(2)71)55(74)67-49-35-53(72)62-29-14-12-22-45(54(61)73)65-56(75)47(33-42-36-63-44-21-10-9-19-43(42)44)66-57(76)51-24-13-15-30-69(51)59(78)48(32-40-27-25-39(26-28-40)31-38-16-6-5-7-17-38)68-58(77)52-34-41-18-8-11-23-50(41)70(52)60(49)79/h5-7,9-10,16-17,19,21,25-28,36,41,45-52,63H,3-4,8,11-15,18,20,22-24,29-35H2,1-2H3,(H2,61,73)(H,62,72)(H,64,71)(H,65,75)(H,66,76)(H,67,74)(H,68,77)/t41?,45-,46-,47-,48-,49-,50?,51-,52-/m0/s1
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| InChIKey |
VSEDHYYTUINXNF-YGTIJORTSA-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