General Information of the Compound
| Compound ID |
CP0531983
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| Compound Name |
4-((S)-2-amino-3-oxo-3-((S)-3-(4-phenyl-1H-imidazol-2-yl)-3,4-dihydroisoquinolin-2(1H)-yl)propyl)benzamide
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| Structure |
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| Formula |
C28H27N5O2
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| Molecular Weight |
465.557
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| Canonical SMILES |
N[C@@H](Cc1ccc(cc1)C(N)=O)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1
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| InChI |
InChI=1S/C28H27N5O2/c29-23(14-18-10-12-20(13-11-18)26(30)34)28(35)33-17-22-9-5-4-8-21(22)15-25(33)27-31-16-24(32-27)19-6-2-1-3-7-19/h1-13,16,23,25H,14-15,17,29H2,(H2,30,34)(H,31,32)/t23-,25-/m0/s1
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| InChIKey |
YAJPEEZBYVRBIB-ZCYQVOJMSA-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: PT01352, Mu-type opioid receptor