General Information of the Compound
| Compound ID |
CP0970540
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| Compound Name |
N1-(7-(2-(5-(4-amino-5-(1-methyl-1H-pyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)pyridin-3-yl)ethyl)-2-ethyl-5-fluoroquinolin-4-yl)-N2,N2-dimethylethane-1,2-diamine
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| Structure |
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| Formula |
C32H35FN10
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| Molecular Weight |
578.7
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| Canonical SMILES |
CCc1cc(NCCN(C)C)c2c(F)cc(CCc3cncc(-n4cc(-c5ccn(C)n5)c5c(N)ncnc54)c3)cc2n1
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| InChI |
InChI=1S/C32H35FN10/c1-5-22-15-27(36-9-11-41(2)3)30-25(33)13-20(14-28(30)39-22)6-7-21-12-23(17-35-16-21)43-18-24(26-8-10-42(4)40-26)29-31(34)37-19-38-32(29)43/h8,10,12-19H,5-7,9,11H2,1-4H3,(H,36,39)(H2,34,37,38)
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| InChIKey |
UHMCRKBJNMBBCS-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