General Information of the Compound
| Compound ID |
CP0527707
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| Compound Name |
2,4-diaminopyrimidine-based antagonist, 13c
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| Structure |
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| Formula |
C23H27N5O2
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| Molecular Weight |
405.502
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| Canonical SMILES |
CC(C)CC(=O)Nc1ccc(cc1)-c1c(N)nc(N)nc1COCc1ccccc1
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| InChI |
InChI=1S/C23H27N5O2/c1-15(2)12-20(29)26-18-10-8-17(9-11-18)21-19(27-23(25)28-22(21)24)14-30-13-16-6-4-3-5-7-16/h3-11,15H,12-14H2,1-2H3,(H,26,29)(H4,24,25,27,28)
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| InChIKey |
QGKYEEPHMFVUEN-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