General Information of the Compound
| Compound ID |
CP0254342
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| Compound Name |
2-{3-hydroxy-2-[(pyridin-3-ylmethyl)amino]propyl}-6-methoxy-1-oxo-4-phenyl-1,2-dihydroisoquinoline-3-carbonitrile
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| Structure |
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| Formula |
C26H24N4O3
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| Molecular Weight |
440.503
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| Canonical SMILES |
COc1ccc2c(c1)c(-c1ccccc1)c(C#N)n(CC(CO)NCc1cccnc1)c2=O
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| InChI |
InChI=1S/C26H24N4O3/c1-33-21-9-10-22-23(12-21)25(19-7-3-2-4-8-19)24(13-27)30(26(22)32)16-20(17-31)29-15-18-6-5-11-28-14-18/h2-12,14,20,29,31H,15-17H2,1H3
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| InChIKey |
QVXQKRAROJSQBS-UHFFFAOYSA-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