General Information of the Compound
| Compound ID |
CP0563708
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| Compound Name |
5-fluoro-4-N-[5-(methoxymethyl)-2-methylphenyl]-4-N-methyl-2-N-(3-methylsulfonyl-5-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C25H30FN5O4S
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| Molecular Weight |
515.611
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| Canonical SMILES |
COCc1ccc(C)c(c1)N(C)c1nc(Nc2cc(cc(c2)S(C)(=O)=O)N2CCOCC2)ncc1F
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| InChI |
InChI=1S/C25H30FN5O4S/c1-17-5-6-18(16-34-3)11-23(17)30(2)24-22(26)15-27-25(29-24)28-19-12-20(31-7-9-35-10-8-31)14-21(13-19)36(4,32)33/h5-6,11-15H,7-10,16H2,1-4H3,(H,27,28,29)
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| InChIKey |
BCGFTSYNPJUGDC-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