General Information of the Compound
| Compound ID |
CP0442370
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| Compound Name |
6-(azepan-1-yl)-5-bromo-N,2-dicyclopropylpyrimidin-4-amine
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| Structure |
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| Formula |
C16H23BrN4
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| Molecular Weight |
351.292
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| Canonical SMILES |
Brc1c(NC2CC2)nc(nc1N1CCCCCC1)C1CC1
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| InChI |
InChI=1S/C16H23BrN4/c17-13-15(18-12-7-8-12)19-14(11-5-6-11)20-16(13)21-9-3-1-2-4-10-21/h11-12H,1-10H2,(H,18,19,20)
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| InChIKey |
XXABYSVRHXDZSD-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