General Information of the Compound
| Compound ID |
CP0517092
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| Compound Name |
(3R,4R)-2-ethyl-1-oxo-3-(4-phenoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
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| Structure |
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| Formula |
C24H21NO4
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| Molecular Weight |
387.435
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| Canonical SMILES |
CCN1[C@H]([C@H](C(O)=O)c2ccccc2C1=O)c1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C24H21NO4/c1-2-25-22(21(24(27)28)19-10-6-7-11-20(19)23(25)26)16-12-14-18(15-13-16)29-17-8-4-3-5-9-17/h3-15,21-22H,2H2,1H3,(H,27,28)/t21-,22+/m1/s1
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| InChIKey |
KDLAPHSXRALIBY-YADHBBJMSA-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