General Information of the Compound
| Compound ID |
CP0382084
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| Compound Name |
N-[[4-(4,9-diethoxy-3-oxo-1H-benzo[f]isoindol-2-yl)phenyl]methylsulfonyl]-3-thiophen-3-ylpropanamide
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| Structure |
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| Formula |
C30H30N2O6S2
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| Molecular Weight |
578.712
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| Canonical SMILES |
CCOc1c2CN(C(=O)c2c(OCC)c2ccccc12)c1ccc(CS(=O)(=O)NC(=O)CCc2ccsc2)cc1
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| InChI |
InChI=1S/C30H30N2O6S2/c1-3-37-28-23-7-5-6-8-24(23)29(38-4-2)27-25(28)17-32(30(27)34)22-12-9-21(10-13-22)19-40(35,36)31-26(33)14-11-20-15-16-39-18-20/h5-10,12-13,15-16,18H,3-4,11,14,17,19H2,1-2H3,(H,31,33)
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| InChIKey |
CELLNCPQQBYQAE-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