General Information of the Compound
| Compound ID |
CP0156942
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| Compound Name |
2-methyl-2-(3-pyridin-3-ylphenyl)-1,3-benzoxazin-4-amine
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| Structure |
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| Formula |
C20H17N3O
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| Molecular Weight |
315.376
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| Canonical SMILES |
CC1(Oc2ccccc2C(N)=N1)c1cccc(c1)-c1cccnc1
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| InChI |
InChI=1S/C20H17N3O/c1-20(23-19(21)17-9-2-3-10-18(17)24-20)16-8-4-6-14(12-16)15-7-5-11-22-13-15/h2-13H,1H3,(H2,21,23)
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| InChIKey |
PTJBVABYDJDHNC-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