General Information of the Compound
| Compound ID |
CP0502066
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| Compound Name |
4-(benzenesulfonyl)-6-fluoro-2,2-dimethyl-8-piperidin-4-yl-3H-1,4-benzoxazine
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| Structure |
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| Formula |
C21H25FN2O3S
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| Molecular Weight |
404.507
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| Canonical SMILES |
CC1(C)CN(c2cc(F)cc(C3CCNCC3)c2O1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C21H25FN2O3S/c1-21(2)14-24(28(25,26)17-6-4-3-5-7-17)19-13-16(22)12-18(20(19)27-21)15-8-10-23-11-9-15/h3-7,12-13,15,23H,8-11,14H2,1-2H3
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| InChIKey |
UAIWTSRLZSTZQH-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