General Information of the Compound
| Compound ID |
CP0485570
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| Compound Name |
(3R,4R)-3-(benzofuran-2-yl)-1-oxo-2-propyl-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
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| Structure |
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| Formula |
C21H19NO4
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| Molecular Weight |
349.386
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| Canonical SMILES |
CCCN1[C@H]([C@H](C(O)=O)c2ccccc2C1=O)c1cc2ccccc2o1
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| InChI |
InChI=1S/C21H19NO4/c1-2-11-22-19(17-12-13-7-3-6-10-16(13)26-17)18(21(24)25)14-8-4-5-9-15(14)20(22)23/h3-10,12,18-19H,2,11H2,1H3,(H,24,25)/t18-,19+/m1/s1
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| InChIKey |
XGUTZVCDZRFSRE-MOPGFXCFSA-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