General Information of the Compound
| Compound ID |
CP0578287
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| Compound Name |
2-(3,5-dimethylpyrazol-1-yl)-6-methyl-N-[2-(4-nitrophenyl)ethyl]pyrimidin-4-amine
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| Structure |
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| Formula |
C18H20N6O2
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| Molecular Weight |
352.398
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| Canonical SMILES |
Cc1cc(C)n(n1)-c1nc(C)cc(NCCc2ccc(cc2)[N+]([O-])=O)n1
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| InChI |
InChI=1S/C18H20N6O2/c1-12-11-17(21-18(20-12)23-14(3)10-13(2)22-23)19-9-8-15-4-6-16(7-5-15)24(25)26/h4-7,10-11H,8-9H2,1-3H3,(H,19,20,21)
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| InChIKey |
WEOHZKHGAWZHDV-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