General Information of the Compound
| Compound ID |
CP0444299
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| Compound Name |
N-[[4-(4,9-diethoxy-3-oxo-1H-benzo[f]isoindol-2-yl)phenyl]methylsulfonyl]-2-(5-methylpyrazol-1-yl)acetamide
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| Structure |
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| Formula |
C29H30N4O6S
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| Molecular Weight |
562.648
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| Canonical SMILES |
CCOc1c2CN(C(=O)c2c(OCC)c2ccccc12)c1ccc(CS(=O)(=O)NC(=O)Cn2nccc2C)cc1
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| InChI |
InChI=1S/C29H30N4O6S/c1-4-38-27-22-8-6-7-9-23(22)28(39-5-2)26-24(27)16-32(29(26)35)21-12-10-20(11-13-21)18-40(36,37)31-25(34)17-33-19(3)14-15-30-33/h6-15H,4-5,16-18H2,1-3H3,(H,31,34)
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| InChIKey |
IDYLGFGZVZEWRS-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