General Information of the Compound
| Compound ID |
CP0334435
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| Compound Name |
2,4-diaminopyrimidine-based antagonist, 14g
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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 |
Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NC(=O)NCCc2ccccc2)cc1
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| InChI |
InChI=1S/C27H28N6O2/c28-25-24(23(32-26(29)33-25)18-35-17-20-9-5-2-6-10-20)21-11-13-22(14-12-21)31-27(34)30-16-15-19-7-3-1-4-8-19/h1-14H,15-18H2,(H2,30,31,34)(H4,28,29,32,33)
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| InChIKey |
LGGIVTCQXBEAOP-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