General Information of the Compound
Compound ID |
CP0526962
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Compound Name |
2-[3-(1H-imidazol-4-ylmethyl)phenyl]-5,5-dimethyl-5,6-dihydro-4H-1,3-oxazine
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Structure |
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Formula |
C16H19N3O
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Molecular Weight |
269.348
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Canonical SMILES |
CC1(C)COC(=NC1)c1cccc(Cc2cnc[nH]2)c1
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InChI |
InChI=1S/C16H19N3O/c1-16(2)9-18-15(20-10-16)13-5-3-4-12(6-13)7-14-8-17-11-19-14/h3-6,8,11H,7,9-10H2,1-2H3,(H,17,19)
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InChIKey |
ZPBNADIRZNHTBQ-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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