General Information of the Compound
| Compound ID |
CP0894828
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| Compound Name |
c[Pro-Arg-Phe-Phe-Asn-Phe-Phe-DPro]
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| Structure |
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| Formula |
C56H68N12O9
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| Molecular Weight |
1053.235
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| Canonical SMILES |
N=C(N)NCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O
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| InChI |
InChI=1S/C56H68N12O9/c57-47(69)34-43-52(74)64-42(32-37-20-9-3-10-21-37)51(73)66-44(33-38-22-11-4-12-23-38)54(76)68-29-15-26-46(68)55(77)67-28-14-25-45(67)53(75)61-39(24-13-27-60-56(58)59)48(70)62-40(30-35-16-5-1-6-17-35)49(71)63-41(50(72)65-43)31-36-18-7-2-8-19-36/h1-12,16-23,39-46H,13-15,24-34H2,(H2,57,69)(H,61,75)(H,62,70)(H,63,71)(H,64,74)(H,65,72)(H,66,73)(H4,58,59,60)/t39-,40-,41-,42-,43-,44-,45-,46+/m0/s1
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| InChIKey |
NRLQKQCDACMYGN-BWNODLHQSA-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: PT02450, Melanocortin receptor 3
Protein ID: PT01431, Melanocortin receptor 4