General Information of the Compound
| Compound ID |
CP0371872
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| Compound Name |
2-Amino-4-(N-methyl-m-bromoanilino)-6-(2,5-dimethoxybenzyl)-pyrrolo[2,3-d]pyrimidine
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| Structure |
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| Formula |
C22H22BrN5O2
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| Molecular Weight |
468.355
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| Canonical SMILES |
COc1ccc(OC)c(Cc2cc3c(nc(N)nc3[nH]2)N(C)c2cccc(Br)c2)c1
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| InChI |
InChI=1S/C22H22BrN5O2/c1-28(16-6-4-5-14(23)11-16)21-18-12-15(25-20(18)26-22(24)27-21)9-13-10-17(29-2)7-8-19(13)30-3/h4-8,10-12H,9H2,1-3H3,(H3,24,25,26,27)
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| InChIKey |
MFHUUPOUXJRWOX-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