General Information of the Compound
| Compound ID |
CP0358279
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| Compound Name |
Ac-Trp-D-3-MPt(Me)-Asp-Phe-NH2
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| Structure |
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| Formula |
C32H38N6O7S
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| Molecular Weight |
650.758
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| Canonical SMILES |
CS[C@H]1CCN([C@@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O
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| InChI |
InChI=1S/C32H38N6O7S/c1-18(39)35-25(15-20-17-34-22-11-7-6-10-21(20)22)32(45)38-13-12-26(46-2)28(38)31(44)37-24(16-27(40)41)30(43)36-23(29(33)42)14-19-8-4-3-5-9-19/h3-11,17,23-26,28,34H,12-16H2,1-2H3,(H2,33,42)(H,35,39)(H,36,43)(H,37,44)(H,40,41)/t23-,24-,25-,26-,28-/m0/s1
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| InChIKey |
ILPFXXPKWUDSBN-MGAMHGSISA-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