General Information of the Compound
| Compound ID |
CP0433726
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| Compound Name |
Ac-Nle4-cyclo(Asp5-His6-D-Gln-Pro8-Trp9-Lys10)-NH2
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| Structure |
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| Formula |
C45H63N13O10
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| Molecular Weight |
946.08
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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](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
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| InChI |
InChI=1S/C45H63N13O10/c1-3-4-11-31(51-25(2)59)40(63)56-35-22-38(61)49-17-8-7-13-30(39(47)62)53-41(64)33(20-27-19-26-10-5-6-12-29(26)52-27)57-44(67)36-14-9-18-58(36)45(68)32(15-16-37(46)60)54-42(65)34(55-43(35)66)21-28-23-48-24-50-28/h5-6,10,12,19,23-24,30-36,52H,3-4,7-9,11,13-18,20-22H2,1-2H3,(H2,46,60)(H2,47,62)(H,48,50)(H,49,61)(H,51,59)(H,53,64)(H,54,65)(H,55,66)(H,56,63)(H,57,67)/t30-,31-,32+,33-,34-,35-,36-/m0/s1
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| InChIKey |
PCGQXGZEUOKRTI-UFBDBFPOSA-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