General Information of the Compound
| Compound ID |
CP0428721
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| Compound Name |
2-Amino-4-(N-methyl-m-bromoanilino)-6-(2-methylbenzyl)-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)nc2[nH]c(Cc3ccccc3C)cc12
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| InChI |
InChI=1S/C21H20BrN5/c1-13-6-3-4-7-14(13)10-16-12-18-19(24-16)25-21(23)26-20(18)27(2)17-9-5-8-15(22)11-17/h3-9,11-12H,10H2,1-2H3,(H3,23,24,25,26)
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| InChIKey |
WCTLSBBVUJVVIG-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