General Information of the Compound
| Compound ID |
CP0367751
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| Compound Name |
2,4-diaminopyrimidine-based antagonist, 8a
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| Structure |
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| Formula |
C26H30N6O2S
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| Molecular Weight |
490.633
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| Canonical SMILES |
CCc1nc(N)nc(N)c1-c1ccc2n(Cc3ccc(cc3)S(C)(=O)=O)c(nc2c1)C1CCCC1
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| InChI |
InChI=1S/C26H30N6O2S/c1-3-20-23(24(27)31-26(28)30-20)18-10-13-22-21(14-18)29-25(17-6-4-5-7-17)32(22)15-16-8-11-19(12-9-16)35(2,33)34/h8-14,17H,3-7,15H2,1-2H3,(H4,27,28,30,31)
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| InChIKey |
VLHZQLDSBFPCII-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