General Information of the Compound
| Compound ID |
CP0529104
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| Compound Name |
2,4-diaminopyrimidine-based antagonist, 8b
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| Structure |
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| Formula |
C27H26N6O2S
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| Molecular Weight |
498.612
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| Canonical SMILES |
CCc1nc(N)nc(N)c1-c1ccc2n(Cc3ccc(cc3)S(C)(=O)=O)c(nc2c1)-c1ccccc1
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| InChI |
InChI=1S/C27H26N6O2S/c1-3-21-24(25(28)32-27(29)31-21)19-11-14-23-22(15-19)30-26(18-7-5-4-6-8-18)33(23)16-17-9-12-20(13-10-17)36(2,34)35/h4-15H,3,16H2,1-2H3,(H4,28,29,31,32)
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| InChIKey |
OJVARHYUTXXZJR-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