General Information of the Compound
| Compound ID |
CP0970538
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| Compound Name |
7-(5-(((2-ethyl-4-(piperazin-1-yl)quinolin-7-yl)oxy)methyl)pyridin-3-yl)-5-(1-methyl-1H-pyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C31H32N10O
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| Molecular Weight |
560.666
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| Canonical SMILES |
CCc1cc(N2CCNCC2)c2ccc(OCc3cncc(-n4cc(-c5ccn(C)n5)c5c(N)ncnc54)c3)cc2n1
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| InChI |
InChI=1S/C31H32N10O/c1-3-21-13-28(40-10-7-33-8-11-40)24-5-4-23(14-27(24)37-21)42-18-20-12-22(16-34-15-20)41-17-25(26-6-9-39(2)38-26)29-30(32)35-19-36-31(29)41/h4-6,9,12-17,19,33H,3,7-8,10-11,18H2,1-2H3,(H2,32,35,36)
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| InChIKey |
GUYBMXXSCOQLGY-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