General Information of the Compound
| Compound ID |
CP0523094
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| Compound Name |
2,4-diaminopyrimidine derivative, 8i
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| Structure |
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| Formula |
C23H22ClN5OS
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| Molecular Weight |
451.983
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| Canonical SMILES |
Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NCc2csc(Cl)c2)cc1
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| InChI |
InChI=1S/C23H22ClN5OS/c24-20-10-16(14-31-20)11-27-18-8-6-17(7-9-18)21-19(28-23(26)29-22(21)25)13-30-12-15-4-2-1-3-5-15/h1-10,14,27H,11-13H2,(H4,25,26,28,29)
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| InChIKey |
FQUNLLIRLOFAFL-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