General Information of the Compound
| Compound ID |
CP0866945
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| Compound Name |
2-[3-(4-Amino-phenyl)-2-(2-{2-[2-dibenzylamino-3-(4-hydroxy-phenyl)-propionylamino]-acetylamino}-acetylamino)-propionylamino]-4-methyl-pentanoic acid
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| Structure |
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| Formula |
C42H50N6O7
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| Molecular Weight |
750.897
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)N(Cc1ccccc1)Cc1ccccc1)C(=O)O
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| InChI |
InChI=1S/C42H50N6O7/c1-28(2)21-36(42(54)55)47-40(52)35(22-29-13-17-33(43)18-14-29)46-39(51)25-44-38(50)24-45-41(53)37(23-30-15-19-34(49)20-16-30)48(26-31-9-5-3-6-10-31)27-32-11-7-4-8-12-32/h3-20,28,35-37,49H,21-27,43H2,1-2H3,(H,44,50)(H,45,53)(H,46,51)(H,47,52)(H,54,55)/t35-,36-,37-/m0/s1
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| InChIKey |
VZTLKMCPMIEHCZ-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