General Information of the Compound
| Compound ID |
CP0336509
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| Compound Name |
3-isoquinolin-6-yl-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
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| Structure |
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| Formula |
C23H21N3OS
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| Molecular Weight |
387.508
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| Canonical SMILES |
CC(C)(C(c1ccccc1)c1ccc2cnccc2c1)C(=O)Nc1nccs1
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| InChI |
InChI=1S/C23H21N3OS/c1-23(2,21(27)26-22-25-12-13-28-22)20(16-6-4-3-5-7-16)18-8-9-19-15-24-11-10-17(19)14-18/h3-15,20H,1-2H3,(H,25,26,27)
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| InChIKey |
CEXLJLTYBQBESA-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