General Information of the Compound
| Compound ID |
CP0441568
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| Compound Name |
4-N-quinolin-6-yl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C22H21N5O3
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| Molecular Weight |
403.442
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| Canonical SMILES |
COc1cc(Nc2nccc(Nc3ccc4ncccc4c3)n2)cc(OC)c1OC
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| InChI |
InChI=1S/C22H21N5O3/c1-28-18-12-16(13-19(29-2)21(18)30-3)26-22-24-10-8-20(27-22)25-15-6-7-17-14(11-15)5-4-9-23-17/h4-13H,1-3H3,(H2,24,25,26,27)
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| InChIKey |
QZNAGOWOUWHEEI-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