General Information of the Compound
| Compound ID |
CP0406916
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| Compound Name |
4-N-butyl-5-(3-cyclohexylpropyl)-6-methylpyrimidine-2,4-diamine
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| Structure |
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| Formula |
C18H32N4
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| Molecular Weight |
304.482
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| Canonical SMILES |
CCCCNc1nc(N)nc(C)c1CCCC1CCCCC1
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| InChI |
InChI=1S/C18H32N4/c1-3-4-13-20-17-16(14(2)21-18(19)22-17)12-8-11-15-9-6-5-7-10-15/h15H,3-13H2,1-2H3,(H3,19,20,21,22)
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| InChIKey |
GHGJYWLBQJVEOA-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