General Information of the Compound
| Compound ID |
CP0432767
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| Compound Name |
2,4-diaminopyrimidine derivative, 7d
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| Structure |
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| Formula |
C19H20N6O2
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| Molecular Weight |
364.409
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| Canonical SMILES |
CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(cc2)[N+]([O-])=O)cc1
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| InChI |
InChI=1S/C19H20N6O2/c1-2-16-17(18(20)24-19(21)23-16)13-5-7-14(8-6-13)22-11-12-3-9-15(10-4-12)25(26)27/h3-10,22H,2,11H2,1H3,(H4,20,21,23,24)
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| InChIKey |
YNLJPWBIYDXHDX-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