General Information of the Compound
| Compound ID |
CP0124550
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| Compound Name |
1-(2,4-dimethoxyphenyl)-6,8-dimethoxy-4-methyl-2,3-dihydro-1H-pyrrolo[3,2-c]quinoline
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| Structure |
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| Formula |
C22H24N2O4
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| Molecular Weight |
380.444
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| Canonical SMILES |
COc1ccc(N2CCc3c2c2cc(OC)cc(OC)c2nc3C)c(OC)c1
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| InChI |
InChI=1S/C22H24N2O4/c1-13-16-8-9-24(18-7-6-14(25-2)11-19(18)27-4)22(16)17-10-15(26-3)12-20(28-5)21(17)23-13/h6-7,10-12H,8-9H2,1-5H3
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| InChIKey |
MSELVEFUVDXEPF-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT01214, Tyrosine-protein kinase JAK2