General Information of the Compound
| Compound ID |
CP0951111
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| Compound Name |
7-(5-(((2-isopropyl-4-(piperazin-1-yl)quinolin-7-yl)oxy)methyl)pyridin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C28H30N8O
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| Molecular Weight |
494.603
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| Canonical SMILES |
CC(C)c1cc(N2CCNCC2)c2ccc(OCc3cncc(-n4ccc5c(N)ncnc54)c3)cc2n1
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| InChI |
InChI=1S/C28H30N8O/c1-18(2)24-13-26(35-9-6-30-7-10-35)22-4-3-21(12-25(22)34-24)37-16-19-11-20(15-31-14-19)36-8-5-23-27(29)32-17-33-28(23)36/h3-5,8,11-15,17-18,30H,6-7,9-10,16H2,1-2H3,(H2,29,32,33)
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| InChIKey |
KABDGSHSKGXYMJ-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