General Information of the Compound
| Compound ID |
CP0156306
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| Compound Name |
2,4-diaminopyrimidine-based antagonist, 13m
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| Structure |
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| Formula |
C26H25N5O2
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| Molecular Weight |
439.519
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| Canonical SMILES |
Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NC(=O)Cc2ccccc2)cc1
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| InChI |
InChI=1S/C26H25N5O2/c27-25-24(22(30-26(28)31-25)17-33-16-19-9-5-2-6-10-19)20-11-13-21(14-12-20)29-23(32)15-18-7-3-1-4-8-18/h1-14H,15-17H2,(H,29,32)(H4,27,28,30,31)
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| InChIKey |
CQMPFWNJLTXKTD-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