General Information of the Compound
| Compound ID |
CP0959231
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| Compound Name |
N1-(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-5-fluoroquinolin-4-yl)-N2,N2-dimethylethane-1,2-diamine
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| Formula |
C31H33FN10O
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| Molecular Weight |
580.672
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| Canonical SMILES |
CCc1cc(NCCN(C)C)c2c(F)cc(OCc3cncc(-n4cc(-c5ccn(C)n5)c5c(N)ncnc54)c3)cc2n1
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| InChI |
InChI=1S/C31H33FN10O/c1-5-20-11-26(35-7-9-40(2)3)29-24(32)12-22(13-27(29)38-20)43-17-19-10-21(15-34-14-19)42-16-23(25-6-8-41(4)39-25)28-30(33)36-18-37-31(28)42/h6,8,10-16,18H,5,7,9,17H2,1-4H3,(H,35,38)(H2,33,36,37)
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| InChIKey |
XEWVTOGUUTWXLQ-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