General Information of the Compound
| Compound ID |
CP0401406
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| Compound Name |
N-[4-[5-[[benzyl(methyl)amino]methyl]-1-[(2,6-difluorophenyl)methyl]-3-(3-methoxyphenyl)-2,4-dioxothieno[2,3-d]pyrimidin-6-yl]phenyl]-N-methylpropanamide
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| Structure |
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| Formula |
C39H36F2N4O4S
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| Molecular Weight |
694.804
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| Canonical SMILES |
CCC(=O)N(C)c1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3cccc(OC)c3)c(=O)c2c1CN(C)Cc1ccccc1
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| InChI |
InChI=1S/C39H36F2N4O4S/c1-5-34(46)43(3)27-19-17-26(18-20-27)36-31(23-42(2)22-25-11-7-6-8-12-25)35-37(47)45(28-13-9-14-29(21-28)49-4)39(48)44(38(35)50-36)24-30-32(40)15-10-16-33(30)41/h6-21H,5,22-24H2,1-4H3
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| InChIKey |
QMNVBIOUMGUBCW-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