General Information of the Compound
| Compound ID |
CP0378720
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| Compound Name |
5-benzyl-4-N-butyl-6-methylpyrimidine-2,4-diamine
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| Structure |
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| Formula |
C16H22N4
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| Molecular Weight |
270.38
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| Canonical SMILES |
CCCCNc1nc(N)nc(C)c1Cc1ccccc1
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| InChI |
InChI=1S/C16H22N4/c1-3-4-10-18-15-14(12(2)19-16(17)20-15)11-13-8-6-5-7-9-13/h5-9H,3-4,10-11H2,1-2H3,(H3,17,18,19,20)
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| InChIKey |
PAZGTLUPBJUMGJ-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