General Information of the Compound
| Compound ID |
CP0376206
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| Compound Name |
2-Amino-4-(m-bromoanilino)-6-benzyl-7-methyl-pyrrolo-[2,3-d]pyrimidine
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| Structure |
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| Formula |
C20H18BrN5
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| Molecular Weight |
408.303
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| Canonical SMILES |
Cn1c(Cc2ccccc2)cc2c(Nc3cccc(Br)c3)nc(N)nc12
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| InChI |
InChI=1S/C20H18BrN5/c1-26-16(10-13-6-3-2-4-7-13)12-17-18(24-20(22)25-19(17)26)23-15-9-5-8-14(21)11-15/h2-9,11-12H,10H2,1H3,(H3,22,23,24,25)
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| InChIKey |
KCVASMRHHADGSC-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