General Information of the Compound
Compound ID |
CP0968018
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Compound Name |
(3-(4-amino-5-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(((2-(methylamino)quinolin-7-yl)oxy)methyl)phenyl)methanol
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Structure |
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Formula |
C24H21ClN6O2
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Molecular Weight |
460.925
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Canonical SMILES |
CNc1ccc2ccc(OCc3cc(CO)cc(-n4cc(Cl)c5c(N)ncnc54)c3)cc2n1
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InChI |
InChI=1S/C24H21ClN6O2/c1-27-21-5-3-16-2-4-18(9-20(16)30-21)33-12-15-6-14(11-32)7-17(8-15)31-10-19(25)22-23(26)28-13-29-24(22)31/h2-10,13,32H,11-12H2,1H3,(H,27,30)(H2,26,28,29)
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InChIKey |
RSQPUMSNAGYDHC-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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PubChem ID |
Map of Molecular Bioactivity Related to the Compound
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