General Information of the Compound
| Compound ID |
CP0440902
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| Compound Name |
N-[[4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]methylsulfonyl]-1-(2,6-dimethoxyphenyl)cyclopropane-1-carboxamide
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| Structure |
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| Formula |
C35H37N3O8S
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| Molecular Weight |
659.761
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| Canonical SMILES |
CCOc1c2C(=O)N(Cc2c(OCC)c2ncccc12)c1ccc(CS(=O)(=O)NC(=O)C2(CC2)c2c(OC)cccc2OC)cc1C
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| InChI |
InChI=1S/C35H37N3O8S/c1-6-45-31-23-10-9-17-36-30(23)32(46-7-2)24-19-38(33(39)28(24)31)25-14-13-22(18-21(25)3)20-47(41,42)37-34(40)35(15-16-35)29-26(43-4)11-8-12-27(29)44-5/h8-14,17-18H,6-7,15-16,19-20H2,1-5H3,(H,37,40)
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| InChIKey |
VZZHNJDWBJVVKC-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