General Information of the Compound
| Compound ID |
CP0159311
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| Compound Name |
6-(azepan-1-yl)-N,2-dicyclopropyl-5-methylpyrimidin-4-amine
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| Synonyms |
6-(1-azepanyl)-N,2-dicyclopropyl-5-methyl-4-pyrimidinamine
BDBM50181089
CHEMBL205654
SCHEMBL460823
UCB-101333-3
XMDRTFUFPOAGDR-UHFFFAOYSA-N
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| Structure |
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| Formula |
C17H26N4
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| Molecular Weight |
286.423
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| Canonical SMILES |
Cc1c(NC2CC2)nc(nc1N1CCCCCC1)C1CC1
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| InChI |
InChI=1S/C17H26N4/c1-12-15(18-14-8-9-14)19-16(13-6-7-13)20-17(12)21-10-4-2-3-5-11-21/h13-14H,2-11H2,1H3,(H,18,19,20)
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| InChIKey |
XMDRTFUFPOAGDR-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
Clinical Information about the Compound