General Information of the Compound
| Compound ID |
CP0193577
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| Compound Name |
N-[4-[5-[[benzyl(methyl)amino]methyl]-1-[(2,6-difluorophenyl)methyl]-2,4-dioxo-3-phenylthieno[2,3-d]pyrimidin-6-yl]phenyl]-2-methylpropanamide
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| Structure |
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| Formula |
C38H34F2N4O3S
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| Molecular Weight |
664.778
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| Canonical SMILES |
CC(C)C(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1
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| InChI |
InChI=1S/C38H34F2N4O3S/c1-24(2)35(45)41-27-19-17-26(18-20-27)34-30(22-42(3)21-25-11-6-4-7-12-25)33-36(46)44(28-13-8-5-9-14-28)38(47)43(37(33)48-34)23-29-31(39)15-10-16-32(29)40/h4-20,24H,21-23H2,1-3H3,(H,41,45)
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| InChIKey |
FDZAPFIWXGZZEY-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