General Information of the Compound
| Compound ID |
CP0425195
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| Compound Name |
Ac-Nle4-cyclo(Asp5-His6-D-Tyr(Et)-Pro8-Trp9-Lys10)-NH2
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| Structure |
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| Formula |
C51H68N12O10
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| Molecular Weight |
1009.179
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| Canonical SMILES |
CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(O)cc2)N(CC)C(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
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| InChI |
InChI=1S/C51H68N12O10/c1-4-6-13-38(56-30(3)64)46(68)59-40-27-44(66)54-21-10-9-15-37(45(52)67)58-47(69)39(25-33-24-32-12-7-8-14-36(32)57-33)60-49(71)42-16-11-22-63(42)51(73)43(23-31-17-19-35(65)20-18-31)62(5-2)50(72)41(61-48(40)70)26-34-28-53-29-55-34/h7-8,12,14,17-20,24,28-29,37-43,57,65H,4-6,9-11,13,15-16,21-23,25-27H2,1-3H3,(H2,52,67)(H,53,55)(H,54,66)(H,56,64)(H,58,69)(H,59,68)(H,60,71)(H,61,70)/t37-,38-,39-,40-,41-,42-,43+/m0/s1
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| InChIKey |
KCCNZMWUXYDOPS-FYYCEQFTSA-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: PT01804, Melanocortin receptor 5
Protein ID: PT00911, Melanocyte-stimulating hormone receptor