General Information of the Compound
| Compound ID |
CP0255102
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| Compound Name |
6-chloro-2-[[1-(3-hydroxy-3-methylbutyl)-5-methylsulfonylpyrazol-3-yl]methyl]-4-phenyl-3-propanoylisoquinolin-1-one
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| Structure |
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| Formula |
C28H30ClN3O5S
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| Molecular Weight |
556.084
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| Canonical SMILES |
CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cc(n(CCC(C)(C)O)n1)S(C)(=O)=O
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| InChI |
InChI=1S/C28H30ClN3O5S/c1-5-23(33)26-25(18-9-7-6-8-10-18)22-15-19(29)11-12-21(22)27(34)31(26)17-20-16-24(38(4,36)37)32(30-20)14-13-28(2,3)35/h6-12,15-16,35H,5,13-14,17H2,1-4H3
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| InChIKey |
NSOWFIRCXBENCE-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