General Information of the Compound
| Compound ID |
CP0913425
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| Compound Name |
[Glp-Ala-Asp-Pro-Asn-Lys-Phe-Tyr-Gly-Leu-Met-NH2]
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| Structure |
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| Formula |
C57H82N14O16S
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| Molecular Weight |
1251.432
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| Canonical SMILES |
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCC(=O)N1)c1ccc(O)cc1)C(N)=O
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| InChI |
InChI=1S/C57H82N14O16S/c1-30(2)25-38(52(82)65-35(48(60)78)21-24-88-4)64-45(75)29-61-56(86)47(33-15-17-34(72)18-16-33)70-54(84)39(26-32-11-6-5-7-12-32)67-51(81)36(13-8-9-22-58)66-53(83)40(27-43(59)73)68-55(85)42-14-10-23-71(42)57(87)41(28-46(76)77)69-49(79)31(3)62-50(80)37-19-20-44(74)63-37/h5-7,11-12,15-18,30-31,35-42,47,72H,8-10,13-14,19-29,58H2,1-4H3,(H2,59,73)(H2,60,78)(H,61,86)(H,62,80)(H,63,74)(H,64,75)(H,65,82)(H,66,83)(H,67,81)(H,68,85)(H,69,79)(H,70,84)(H,76,77)/t31-,35-,36-,37-,38-,39-,40-,41-,42-,47-/m0/s1
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| InChIKey |
DWJQXHDZXPBDHE-NTXPVDGVSA-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