General Information of the Compound
| Compound ID |
CP0536569
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| Compound Name |
N-[4-[3-[[benzyl(methyl)amino]methyl]-7-[(2,6-difluorophenyl)methyl]-5-(2-methylpropanoyl)-4-oxothieno[2,3-b]pyridin-2-yl]phenyl]-2-methylpropanamide
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| Structure |
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| Formula |
C37H37F2N3O3S
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| Molecular Weight |
641.784
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| Canonical SMILES |
CC(C)C(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)cc(C(=O)C(C)C)c(=O)c2c1CN(C)Cc1ccccc1
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| InChI |
InChI=1S/C37H37F2N3O3S/c1-22(2)33(43)29-21-42(20-27-30(38)12-9-13-31(27)39)37-32(34(29)44)28(19-41(5)18-24-10-7-6-8-11-24)35(46-37)25-14-16-26(17-15-25)40-36(45)23(3)4/h6-17,21-23H,18-20H2,1-5H3,(H,40,45)
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| InChIKey |
UUQOPEBRBPSXOI-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