General Information of the Compound
| Compound ID |
CP0435438
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| Compound Name |
2,4-diaminopyrimidine derivative, 7c
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| Structure |
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| Formula |
C20H21F2N5O2S
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| Molecular Weight |
433.484
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| Canonical SMILES |
CCc1nc(N)nc(N)c1-c1ccc(NCc2cc(F)c(c(F)c2)S(C)(=O)=O)cc1
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| InChI |
InChI=1S/C20H21F2N5O2S/c1-3-16-17(19(23)27-20(24)26-16)12-4-6-13(7-5-12)25-10-11-8-14(21)18(15(22)9-11)30(2,28)29/h4-9,25H,3,10H2,1-2H3,(H4,23,24,26,27)
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| InChIKey |
YFGOCVGEMQNGLD-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