General Information of the Compound
| Compound ID |
CP0206887
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| Compound Name |
4-N-naphthalen-2-yl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C23H22N4O3
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| Molecular Weight |
402.454
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| Canonical SMILES |
COc1cc(Nc2nccc(Nc3ccc4ccccc4c3)n2)cc(OC)c1OC
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| InChI |
InChI=1S/C23H22N4O3/c1-28-19-13-18(14-20(29-2)22(19)30-3)26-23-24-11-10-21(27-23)25-17-9-8-15-6-4-5-7-16(15)12-17/h4-14H,1-3H3,(H2,24,25,26,27)
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| InChIKey |
OQZLCEIUKFMPCK-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