General Information of the Compound
| Compound ID |
CP0510377
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| Compound Name |
6-(4-Amino-phenyl)-5-[(benzyl-methyl-amino)-methyl]-1-(2,6-difluoro-benzyl)-3-(3-methoxy-phenyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione; HCL.H2O
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| Structure |
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| Formula |
C35H30F2N4O3S
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| Molecular Weight |
624.713
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| Canonical SMILES |
COc1cccc(c1)-n1c(=O)n(Cc2c(F)cccc2F)c2sc(c(CN(C)Cc3ccccc3)c2c1=O)-c1ccc(N)cc1
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| InChI |
InChI=1S/C35H30F2N4O3S/c1-39(19-22-8-4-3-5-9-22)20-28-31-33(42)41(25-10-6-11-26(18-25)44-2)35(43)40(21-27-29(36)12-7-13-30(27)37)34(31)45-32(28)23-14-16-24(38)17-15-23/h3-18H,19-21,38H2,1-2H3
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| InChIKey |
JHYVSULGTMMINX-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