General Information of the Compound
| Compound ID |
CP0485204
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| Compound Name |
2,4-diaminopyrimidine-based antagonist, 13n
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| Structure |
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| Formula |
C27H27N5O2
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| Molecular Weight |
453.546
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| Canonical SMILES |
Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NC(=O)CCc2ccccc2)cc1
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| InChI |
InChI=1S/C27H27N5O2/c28-26-25(23(31-27(29)32-26)18-34-17-20-9-5-2-6-10-20)21-12-14-22(15-13-21)30-24(33)16-11-19-7-3-1-4-8-19/h1-10,12-15H,11,16-18H2,(H,30,33)(H4,28,29,31,32)
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| InChIKey |
PAJCBTPKTYHKAX-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