General Information of the Compound
| Compound ID |
CP0464345
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| Compound Name |
N-[4-[5-benzoyl-3-[[benzyl(methyl)amino]methyl]-7-[(2,6-difluorophenyl)methyl]-4-oxothieno[2,3-b]pyridin-2-yl]phenyl]-2-methylpropanamide
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| Structure |
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| Formula |
C40H35F2N3O3S
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| Molecular Weight |
675.801
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| Canonical SMILES |
CC(C)C(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)cc(C(=O)c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1
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| InChI |
InChI=1S/C40H35F2N3O3S/c1-25(2)39(48)43-29-19-17-28(18-20-29)38-31(22-44(3)21-26-11-6-4-7-12-26)35-37(47)32(36(46)27-13-8-5-9-14-27)24-45(40(35)49-38)23-30-33(41)15-10-16-34(30)42/h4-20,24-25H,21-23H2,1-3H3,(H,43,48)
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| InChIKey |
PKHQDJJYFJGXHT-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