General Information of the Compound
| Compound ID |
CP0970542
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| Compound Name |
7-((5-(4-amino-5-(5-(((2-(methylsulfonyl)ethyl)amino)methyl)furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)pyridin-3-yl)methoxy)-N-methylquinolin-2-amine 2,2,2-trifluoroacetate
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| Structure |
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| Formula |
C32H31F3N8O6S
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| Molecular Weight |
712.711
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| Canonical SMILES |
CNc1ccc2ccc(OCc3cncc(-n4cc(-c5ccc(CNCCS(C)(=O)=O)o5)c5c(N)ncnc54)c3)cc2n1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C30H30N8O4S.C2HF3O2/c1-32-27-8-4-20-3-5-22(12-25(20)37-27)41-17-19-11-21(14-34-13-19)38-16-24(28-29(31)35-18-36-30(28)38)26-7-6-23(42-26)15-33-9-10-43(2,39)40;3-2(4,5)1(6)7/h3-8,11-14,16,18,33H,9-10,15,17H2,1-2H3,(H,32,37)(H2,31,35,36);(H,6,7)
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| InChIKey |
MZZGGOHKAGTANZ-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