General Information of the Compound
| Compound ID |
CP0379508
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| Compound Name |
2,4-diaminopyrimidine derivative, 8o
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| Structure |
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| Formula |
C28H26N6O
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| Molecular Weight |
462.557
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| Canonical SMILES |
Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NCc2cnc3ccccc3c2)cc1
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| InChI |
InChI=1S/C28H26N6O/c29-27-26(25(33-28(30)34-27)18-35-17-19-6-2-1-3-7-19)21-10-12-23(13-11-21)31-15-20-14-22-8-4-5-9-24(22)32-16-20/h1-14,16,31H,15,17-18H2,(H4,29,30,33,34)
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| InChIKey |
MGHLQXSUSIVMRA-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