General Information of the Compound
| Compound ID |
CP0442372
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| Compound Name |
6-(azepan-1-yl)-N-cyclopropyl-2-(cyclopropylmethyl)-5-methylpyrimidin-4-amine
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| Structure |
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| Formula |
C18H28N4
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| Molecular Weight |
300.45
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| Canonical SMILES |
Cc1c(NC2CC2)nc(CC2CC2)nc1N1CCCCCC1
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| InChI |
InChI=1S/C18H28N4/c1-13-17(19-15-8-9-15)20-16(12-14-6-7-14)21-18(13)22-10-4-2-3-5-11-22/h14-15H,2-12H2,1H3,(H,19,20,21)
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| InChIKey |
LSFXNFJHAUSTAG-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