General Information of the Compound
| Compound ID |
CP0453288
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| Compound Name |
2,4-diaminopyrimidine derivative, 13
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| Structure |
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| Formula |
C21H25N5O2S
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| Molecular Weight |
411.531
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| Canonical SMILES |
CCc1nc(N)nc(N)c1-c1ccc(cc1)N(C)Cc1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C21H25N5O2S/c1-4-18-19(20(22)25-21(23)24-18)15-7-9-16(10-8-15)26(2)13-14-5-11-17(12-6-14)29(3,27)28/h5-12H,4,13H2,1-3H3,(H4,22,23,24,25)
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| InChIKey |
WUAICMBTLZKROR-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