General Information of the Compound
| Compound ID |
CP0503450
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| Compound Name |
(3R,4R)-3-(benzofuran-2-yl)-2-((S)-2-methylbutyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
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| Structure |
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| Formula |
C23H23NO4
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| Molecular Weight |
377.44
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| Canonical SMILES |
CC[C@H](C)CN1[C@H]([C@H](C(O)=O)c2ccccc2C1=O)c1cc2ccccc2o1
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| InChI |
InChI=1S/C23H23NO4/c1-3-14(2)13-24-21(19-12-15-8-4-7-11-18(15)28-19)20(23(26)27)16-9-5-6-10-17(16)22(24)25/h4-12,14,20-21H,3,13H2,1-2H3,(H,26,27)/t14-,20+,21-/m0/s1
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| InChIKey |
PVDAZALKKARTGW-DLPLYFIVSA-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