General Information of the Compound
| Compound ID |
CP0950525
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| Compound Name |
7-((5-(4-amino-5-(1-methyl-1H-pyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)pyridin-3-yl)methoxy)-2-ethyl-N-(2-methoxyethyl)-1,5-naphthyridin-4-amine
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| Structure |
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| Formula |
C29H30N10O2
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| Molecular Weight |
550.627
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| Canonical SMILES |
CCc1cc(NCCOC)c2ncc(OCc3cncc(-n4cc(-c5ccn(C)n5)c5c(N)ncnc54)c3)cc2n1
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| InChI |
InChI=1S/C29H30N10O2/c1-4-19-10-24(32-6-8-40-3)27-25(36-19)11-21(14-33-27)41-16-18-9-20(13-31-12-18)39-15-22(23-5-7-38(2)37-23)26-28(30)34-17-35-29(26)39/h5,7,9-15,17H,4,6,8,16H2,1-3H3,(H,32,36)(H2,30,34,35)
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| InChIKey |
UKMXMTPDJCIDPF-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