General Information of the Compound
| Compound ID |
CP0440043
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| Compound Name |
4-N-(3-bromophenyl)-7-[(2,5-dimethoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C21H20BrN5O2
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| Molecular Weight |
454.328
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| Canonical SMILES |
COc1ccc(OC)c(Cn2ccc3c(Nc4cccc(Br)c4)nc(N)nc23)c1
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| InChI |
InChI=1S/C21H20BrN5O2/c1-28-16-6-7-18(29-2)13(10-16)12-27-9-8-17-19(25-21(23)26-20(17)27)24-15-5-3-4-14(22)11-15/h3-11H,12H2,1-2H3,(H3,23,24,25,26)
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| InChIKey |
BYWNITPNKUNFDE-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