General Information of the Compound
| Compound ID |
CP0408504
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| Compound Name |
2,4-diaminopyrimidine-based antagonist, 13g
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| Structure |
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| Formula |
C23H25N5O3
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| Molecular Weight |
419.485
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| Canonical SMILES |
Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NC(=O)C2CCCO2)cc1
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| InChI |
InChI=1S/C23H25N5O3/c24-21-20(16-8-10-17(11-9-16)26-22(29)19-7-4-12-31-19)18(27-23(25)28-21)14-30-13-15-5-2-1-3-6-15/h1-3,5-6,8-11,19H,4,7,12-14H2,(H,26,29)(H4,24,25,27,28)
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| InChIKey |
PPWORKYMGYFOCE-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