General Information of the Compound
| Compound ID |
CP0428464
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| Compound Name |
2-Amino-4-(N-methyl-m-bromoanilino)-6-benzyl-7-methyl-pyrrolo[2,3-d]pyrimidine
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| Structure |
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| Formula |
C21H20BrN5
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| Molecular Weight |
422.33
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| Canonical SMILES |
CN(c1cccc(Br)c1)c1nc(N)nc2n(C)c(Cc3ccccc3)cc12
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| InChI |
InChI=1S/C21H20BrN5/c1-26(16-10-6-9-15(22)12-16)19-18-13-17(11-14-7-4-3-5-8-14)27(2)20(18)25-21(23)24-19/h3-10,12-13H,11H2,1-2H3,(H2,23,24,25)
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| InChIKey |
BGSYWASSDBCFAF-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