General Information of the Compound
| Compound ID |
CP0013427
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| Compound Name |
5-[(4,5-dimethoxy-2-propylphenyl)methyl]pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C16H22N4O2
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| Molecular Weight |
302.378
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| Canonical SMILES |
CCCc1cc(OC)c(OC)cc1Cc1cnc(N)nc1N
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| InChI |
InChI=1S/C16H22N4O2/c1-4-5-10-7-13(21-2)14(22-3)8-11(10)6-12-9-19-16(18)20-15(12)17/h7-9H,4-6H2,1-3H3,(H4,17,18,19,20)
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| InChIKey |
RSAYXWLOHLCKLF-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