General Information of the Compound
| Compound ID |
CP0553066
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| Compound Name |
6-fluoro-4-(3-fluorophenyl)sulfonyl-2,2-dimethyl-8-piperidin-4-yl-3H-1,4-benzoxazine
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| Structure |
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| Formula |
C21H24F2N2O3S
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| Molecular Weight |
422.497
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| Canonical SMILES |
CC1(C)CN(c2cc(F)cc(C3CCNCC3)c2O1)S(=O)(=O)c1cccc(F)c1
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| InChI |
InChI=1S/C21H24F2N2O3S/c1-21(2)13-25(29(26,27)17-5-3-4-15(22)10-17)19-12-16(23)11-18(20(19)28-21)14-6-8-24-9-7-14/h3-5,10-12,14,24H,6-9,13H2,1-2H3
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| InChIKey |
GTJFUZVVSLGPQI-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