General Information of the Compound
| Compound ID |
CP0406762
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| Compound Name |
N-(3-bromophenyl)-6-[(2-methylphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C20H17BrN4
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| Molecular Weight |
393.288
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| Canonical SMILES |
Cc1ccccc1Cc1cc2c(Nc3cccc(Br)c3)ncnc2[nH]1
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| InChI |
InChI=1S/C20H17BrN4/c1-13-5-2-3-6-14(13)9-17-11-18-19(22-12-23-20(18)25-17)24-16-8-4-7-15(21)10-16/h2-8,10-12H,9H2,1H3,(H2,22,23,24,25)
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| InChIKey |
YBAKNSGHVALZHX-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