General Information of the Compound
| Compound ID |
CP0421157
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| Compound Name |
2,4-diaminopyrimidine-based antagonist, 13b
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| Structure |
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| Formula |
C21H23N5O2
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| Molecular Weight |
377.448
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| Canonical SMILES |
CCC(=O)Nc1ccc(cc1)-c1c(N)nc(N)nc1COCc1ccccc1
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| InChI |
InChI=1S/C21H23N5O2/c1-2-18(27)24-16-10-8-15(9-11-16)19-17(25-21(23)26-20(19)22)13-28-12-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,24,27)(H4,22,23,25,26)
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| InChIKey |
ABCMLBFIEBJOLA-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