General Information of the Compound
| Compound ID |
CP0528712
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| Compound Name |
1-(2-acetyl-5-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)-4-(benzyloxy)pyridin-2(1H)-one
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| Structure |
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| Formula |
C26H25N3O3
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| Molecular Weight |
427.504
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| Canonical SMILES |
CC(=O)N1CCc2c(C1)c1ccc(cc1n2C)-n1ccc(OCc2ccccc2)cc1=O
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| InChI |
InChI=1S/C26H25N3O3/c1-18(30)28-12-11-24-23(16-28)22-9-8-20(14-25(22)27(24)2)29-13-10-21(15-26(29)31)32-17-19-6-4-3-5-7-19/h3-10,13-15H,11-12,16-17H2,1-2H3
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| InChIKey |
YCKASIJEPAJGSH-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