General Information of the Compound
| Compound ID |
CP0497355
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| Compound Name |
N'-(3-bromophenyl)-N-cyano-5-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboximidamide
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| Structure |
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| Formula |
C20H19BrN8
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| Molecular Weight |
451.332
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| Canonical SMILES |
Cc1c[nH]c2ncnc(N3CC4CC3CN4C(NC#N)=Nc3cccc(Br)c3)c12
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| InChI |
InChI=1S/C20H19BrN8/c1-12-7-23-18-17(12)19(26-11-25-18)28-8-16-6-15(28)9-29(16)20(24-10-22)27-14-4-2-3-13(21)5-14/h2-5,7,11,15-16H,6,8-9H2,1H3,(H,24,27)(H,23,25,26)
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| InChIKey |
BLMCSSLGKGQBHN-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