General Information of the Compound
| Compound ID |
CP0502550
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| Compound Name |
2,4-diaminopyrimidine-based antagonist, 14f
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| Structure |
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| Formula |
C27H28N6O2
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| Molecular Weight |
468.561
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| Canonical SMILES |
CC(NC(=O)Nc1ccc(cc1)-c1c(N)nc(N)nc1COCc1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C27H28N6O2/c1-18(20-10-6-3-7-11-20)30-27(34)31-22-14-12-21(13-15-22)24-23(32-26(29)33-25(24)28)17-35-16-19-8-4-2-5-9-19/h2-15,18H,16-17H2,1H3,(H2,30,31,34)(H4,28,29,32,33)
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| InChIKey |
VZPNUPDYOSDSLB-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