General Information of the Compound
| Compound ID |
CP0394120
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| Compound Name |
Ac-Nle4-cyclo(Asp5-His6-D-Tic-Pro8-Trp9-Lys10)-NH2
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| Structure |
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| Formula |
C51H66N12O9
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| Molecular Weight |
991.164
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| Canonical SMILES |
CCCC[C@H](NC(C)=O)C(=O)NC1CC(=O)NCCCCC[C@H](NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CN(c3ccccc3C2)C(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
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| InChI |
InChI=1S/C51H66N12O9/c1-3-4-15-38(56-30(2)64)46(67)59-40-26-44(65)54-20-11-5-6-17-37(45(52)66)58-47(68)39(24-34-23-31-13-7-9-16-36(31)57-34)60-49(70)43-19-12-21-62(43)50(71)33-22-32-14-8-10-18-42(32)63(28-33)51(72)41(61-48(40)69)25-35-27-53-29-55-35/h7-10,13-14,16,18,23,27,29,33,37-41,43,57H,3-6,11-12,15,17,19-22,24-26,28H2,1-2H3,(H2,52,66)(H,53,55)(H,54,65)(H,56,64)(H,58,68)(H,59,67)(H,60,70)(H,61,69)/t33-,37+,38+,39+,40?,41+,43+/m1/s1
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| InChIKey |
MHFMUYCJCSUWNC-BKIWGLARSA-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