General Information of the Compound
| Compound ID |
CP0505149
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| Compound Name |
N-[[4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]methylsulfonyl]-2-(2-ethoxyphenyl)acetamide
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| Structure |
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| Formula |
C33H35N3O7S
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| Molecular Weight |
617.724
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| Canonical SMILES |
CCOc1ccccc1CC(=O)NS(=O)(=O)Cc1ccc(N2Cc3c(C2=O)c(OCC)c2cccnc2c3OCC)c(C)c1
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| InChI |
InChI=1S/C33H35N3O7S/c1-5-41-27-13-9-8-11-23(27)18-28(37)35-44(39,40)20-22-14-15-26(21(4)17-22)36-19-25-29(33(36)38)31(42-6-2)24-12-10-16-34-30(24)32(25)43-7-3/h8-17H,5-7,18-20H2,1-4H3,(H,35,37)
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| InChIKey |
UOWXHKLPYRMISK-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