General Information of the Compound
| Compound ID |
CP0421211
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| Compound Name |
2,4-diaminopyrimidine-based antagonist, 7
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| Structure |
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| Formula |
C21H22N6O2S
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| Molecular Weight |
422.514
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| Canonical SMILES |
CCc1nc(N)nc(N)c1-c1ccc2n(Cc3ccc(cc3)S(C)(=O)=O)cnc2c1
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| InChI |
InChI=1S/C21H22N6O2S/c1-3-16-19(20(22)26-21(23)25-16)14-6-9-18-17(10-14)24-12-27(18)11-13-4-7-15(8-5-13)30(2,28)29/h4-10,12H,3,11H2,1-2H3,(H4,22,23,25,26)
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| InChIKey |
LSEHXMWYQVYWPQ-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