General Information of the Compound
| Compound ID |
CP0846695
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| Compound Name |
2-[2-(2-{2-[2-Dibenzylamino-3-(4-hydroxy-phenyl)-propionylamino]-acetylamino}-acetylamino)-3-phenyl-propionylamino]-4-methyl-pentanoic acid
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| Structure |
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| Formula |
C42H49N5O7
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| Molecular Weight |
735.882
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)N(Cc1ccccc1)Cc1ccccc1)C(=O)O
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| InChI |
InChI=1S/C42H49N5O7/c1-29(2)22-36(42(53)54)46-40(51)35(23-30-12-6-3-7-13-30)45-39(50)26-43-38(49)25-44-41(52)37(24-31-18-20-34(48)21-19-31)47(27-32-14-8-4-9-15-32)28-33-16-10-5-11-17-33/h3-21,29,35-37,48H,22-28H2,1-2H3,(H,43,49)(H,44,52)(H,45,50)(H,46,51)(H,53,54)/t35-,36-,37-/m0/s1
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| InChIKey |
CFOIEAVNWPDREA-FSEITFBQSA-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: PT01791, Delta-type opioid receptor
Protein ID: PT01526, Delta-type opioid receptor