General Information of the Compound
| Compound ID |
CP0402193
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| Compound Name |
4-N-(3-bromophenyl)-7-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C22H22BrN5O3
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| Molecular Weight |
484.354
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| Canonical SMILES |
COc1cc(Cn2ccc3c(Nc4cccc(Br)c4)nc(N)nc23)cc(OC)c1OC
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| InChI |
InChI=1S/C22H22BrN5O3/c1-29-17-9-13(10-18(30-2)19(17)31-3)12-28-8-7-16-20(26-22(24)27-21(16)28)25-15-6-4-5-14(23)11-15/h4-11H,12H2,1-3H3,(H3,24,25,26,27)
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| InChIKey |
MXJWLONICANFEW-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