General Information of the Compound
| Compound ID |
CP0216904
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| Compound Name |
2-N-(3-chloro-4-methoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine
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| Structure |
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| Formula |
C20H16ClN5O
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| Molecular Weight |
377.835
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| Canonical SMILES |
COc1ccc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc1Cl
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| InChI |
InChI=1S/C20H16ClN5O/c1-27-18-7-6-14(11-16(18)21)25-20-22-9-8-19(26-20)24-15-10-13-4-2-3-5-17(13)23-12-15/h2-12H,1H3,(H2,22,24,25,26)
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| InChIKey |
SAMIQLMBNZKNQT-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