General Information of the Compound
| Compound ID |
CP0216880
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| Compound Name |
Ac-Phe-Phe-Phe-Arg-Leu-Arg-Arg-D-Ala-Arg-Pro-Lys-NH2
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| Structure |
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| Formula |
C73H115N25O12
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| Molecular Weight |
1534.886
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
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| InChI |
InChI=1S/C73H115N25O12/c1-43(2)39-54(95-63(104)52(30-18-36-86-72(80)81)93-66(107)56(41-47-23-10-6-11-24-47)97-67(108)57(42-48-25-12-7-13-26-48)96-65(106)55(89-45(4)99)40-46-21-8-5-9-22-46)64(105)92-51(29-17-35-85-71(78)79)62(103)91-50(28-16-34-84-70(76)77)61(102)88-44(3)60(101)94-53(31-19-37-87-73(82)83)69(110)98-38-20-32-58(98)68(109)90-49(59(75)100)27-14-15-33-74/h5-13,21-26,43-44,49-58H,14-20,27-42,74H2,1-4H3,(H2,75,100)(H,88,102)(H,89,99)(H,90,109)(H,91,103)(H,92,105)(H,93,107)(H,94,101)(H,95,104)(H,96,106)(H,97,108)(H4,76,77,84)(H4,78,79,85)(H4,80,81,86)(H4,82,83,87)/t44-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-/m0/s1
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| InChIKey |
GASXZKAGQYGRIY-YMVNVKPHSA-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: PT01526, Delta-type opioid receptor
Protein ID: PT01460, Kappa-type opioid receptor
Protein ID: PT01549, Mu-type opioid receptor