General Information of the Compound
| Compound ID |
CP0134949
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| Compound Name |
2-[(2R)-2,3-dihydroxypropyl]-6-methoxy-1-oxo-4-phenyl-1,2-dihydroisoquinoline-3-carbonitrile
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| Structure |
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| Formula |
C20H18N2O4
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| Molecular Weight |
350.374
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| Canonical SMILES |
COc1ccc2c(c1)c(-c1ccccc1)c(C#N)n(C[C@@H](O)CO)c2=O
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| InChI |
InChI=1S/C20H18N2O4/c1-26-15-7-8-16-17(9-15)19(13-5-3-2-4-6-13)18(10-21)22(20(16)25)11-14(24)12-23/h2-9,14,23-24H,11-12H2,1H3/t14-/m1/s1
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| InChIKey |
IHNXTAHQOZPVBI-CQSZACIVSA-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