General Information of the Compound
| Compound ID |
CP0530785
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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-phenylacetamide
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| Structure |
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| Formula |
C31H31N3O6S
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| Molecular Weight |
573.671
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| Canonical SMILES |
CCOc1c2C(=O)N(Cc2c(OCC)c2ncccc12)c1ccc(CS(=O)(=O)NC(=O)Cc2ccccc2)cc1C
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| InChI |
InChI=1S/C31H31N3O6S/c1-4-39-29-23-12-9-15-32-28(23)30(40-5-2)24-18-34(31(36)27(24)29)25-14-13-22(16-20(25)3)19-41(37,38)33-26(35)17-21-10-7-6-8-11-21/h6-16H,4-5,17-19H2,1-3H3,(H,33,35)
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| InChIKey |
IHBKLCSCJUGFGL-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