General Information of the Compound
| Compound ID |
CP0109685
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| Compound Name |
N-(4-cyanophenyl)-2-[4-(1,3-dimethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]acetamide
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| Structure |
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| Formula |
C23H19N5O4
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| Molecular Weight |
429.436
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| Canonical SMILES |
Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C#N)cc1
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| InChI |
InChI=1S/C23H19N5O4/c1-27-19-11-18(26-21(19)22(30)28(2)23(27)31)15-5-9-17(10-6-15)32-13-20(29)25-16-7-3-14(12-24)4-8-16/h3-11,26H,13H2,1-2H3,(H,25,29)
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| InChIKey |
CBNXOSCGWXMGTB-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