General Information of the Compound
| Compound ID |
CP0105032
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| Compound Name |
2-ethyl-2-(3-pyrimidin-5-ylphenyl)-1,3-benzoxazin-4-amine
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| Structure |
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| Formula |
C20H18N4O
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| Molecular Weight |
330.391
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| Canonical SMILES |
CCC1(Oc2ccccc2C(N)=N1)c1cccc(c1)-c1cncnc1
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| InChI |
InChI=1S/C20H18N4O/c1-2-20(24-19(21)17-8-3-4-9-18(17)25-20)16-7-5-6-14(10-16)15-11-22-13-23-12-15/h3-13H,2H2,1H3,(H2,21,24)
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| InChIKey |
LBKFHZJTQVZXBJ-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