General Information of the Compound
| Compound ID |
CP0370462
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| Compound Name |
3-cyano-N-(2-hydroxyethyl)-6-methoxy-4-phenylisoquinoline-1-carboxamide
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| Structure |
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| Formula |
C20H17N3O3
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| Molecular Weight |
347.374
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| Canonical SMILES |
COc1ccc2c(nc(C#N)c(-c3ccccc3)c2c1)C(=O)NCCO
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| InChI |
InChI=1S/C20H17N3O3/c1-26-14-7-8-15-16(11-14)18(13-5-3-2-4-6-13)17(12-21)23-19(15)20(25)22-9-10-24/h2-8,11,24H,9-10H2,1H3,(H,22,25)
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| InChIKey |
HFSNQOXBPWZLHD-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