General Information of the Compound
| Compound ID |
CP0551484
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| Compound Name |
5-benzyl-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one
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| Structure |
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| Formula |
C23H23N5O2
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| Molecular Weight |
401.47
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| Canonical SMILES |
CCOc1ccc2nc(Nc3nc(=O)c(Cc4ccccc4)c(C)[nH]3)nc(C)c2c1
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| InChI |
InChI=1S/C23H23N5O2/c1-4-30-17-10-11-20-18(13-17)14(2)24-22(26-20)28-23-25-15(3)19(21(29)27-23)12-16-8-6-5-7-9-16/h5-11,13H,4,12H2,1-3H3,(H2,24,25,26,27,28,29)
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| InChIKey |
UDRHODIBQPWHOF-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: PT02212, Signal transducer and activator of transcription 1-alpha/beta
Protein ID: PT01503, Signal transducer and activator of transcription 3