General Information of the Compound
| Compound ID |
CP0109373
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| Compound Name |
5-[(6-chloro-1-oxo-4-phenyl-3-propanoylisoquinolin-2-yl)methyl]-N-cyclopropyl-2-(2,2-difluoroethyl)pyrazole-3-carboxamide
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| Structure |
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| Formula |
C28H25ClF2N4O3
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| Molecular Weight |
538.982
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| Canonical SMILES |
CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cc(C(=O)NC2CC2)n(CC(F)F)n1
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| InChI |
InChI=1S/C28H25ClF2N4O3/c1-2-23(36)26-25(16-6-4-3-5-7-16)21-12-17(29)8-11-20(21)28(38)34(26)14-19-13-22(27(37)32-18-9-10-18)35(33-19)15-24(30)31/h3-8,11-13,18,24H,2,9-10,14-15H2,1H3,(H,32,37)
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| InChIKey |
JEJMFKYPHZDFNI-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