General Information of the Compound
| Compound ID |
CP0914986
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| Compound Name |
(S)-2-amino-N-((R)-1-{[((S)-1-{(S)-1-benzyl-2-oxo-2-[4-(phenyl-propionyl-amino)-piperidin-1-yl]-ethylcarbamoyl}-2-phenyl-ethylcarbamoyl)-methyl]-carbamoyl}-ethyl)-3-(4-hydroxy-phenyl)-propionamide
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| Structure |
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| Formula |
C46H55N7O7
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| Molecular Weight |
817.988
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| Canonical SMILES |
CCC(=O)N(c1ccccc1)C1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC1
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| InChI |
InChI=1S/C46H55N7O7/c1-3-42(56)53(35-17-11-6-12-18-35)36-23-25-52(26-24-36)46(60)40(29-33-15-9-5-10-16-33)51-45(59)39(28-32-13-7-4-8-14-32)50-41(55)30-48-43(57)31(2)49-44(58)38(47)27-34-19-21-37(54)22-20-34/h4-22,31,36,38-40,54H,3,23-30,47H2,1-2H3,(H,48,57)(H,49,58)(H,50,55)(H,51,59)/t31-,38+,39+,40+/m1/s1
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| InChIKey |
SCPWCPHTILIICX-WDBFUDDQSA-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: PT01200, Delta-type opioid receptor
Protein ID: PT01549, Mu-type opioid receptor