General Information of the Compound
| Compound ID |
CP0460881
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| Compound Name |
6-(3-Fluoro-phenyl)-2,4,4-trimethyl-1,4-dihydro-2H-benzo[d][1,3]oxazine
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| Structure |
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| Formula |
C17H18FNO
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| Molecular Weight |
271.335
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| Canonical SMILES |
CC1Nc2ccc(cc2C(C)(C)O1)-c1cccc(F)c1
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| InChI |
InChI=1S/C17H18FNO/c1-11-19-16-8-7-13(10-15(16)17(2,3)20-11)12-5-4-6-14(18)9-12/h4-11,19H,1-3H3
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| InChIKey |
OFEAVBXFFPQRKC-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