General Information of the Compound
| Compound ID |
CP0137584
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| Compound Name |
2-N-[4-(3-piperidin-1-ylpropoxy)phenyl]-4-N-quinolin-3-ylpyrimidine-2,4-diamine
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| Structure |
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| Formula |
C27H30N6O
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| Molecular Weight |
454.578
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| Canonical SMILES |
C(COc1ccc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc1)CN1CCCCC1
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| InChI |
InChI=1S/C27H30N6O/c1-4-15-33(16-5-1)17-6-18-34-24-11-9-22(10-12-24)31-27-28-14-13-26(32-27)30-23-19-21-7-2-3-8-25(21)29-20-23/h2-3,7-14,19-20H,1,4-6,15-18H2,(H2,28,30,31,32)
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| InChIKey |
FXDWNCFVVOSWKM-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