General Information of the Compound
| Compound ID |
CP0422800
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| Compound Name |
(3S,4R)-6-Chloro-2-[6-(3-fluoro-benzenesulfonyl)-3-hydroxy-2,2-dimethyl-chroman-4-yl]-benzo[d]isoxazol-3-one
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| Structure |
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| Formula |
C24H19ClFNO6S
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| Molecular Weight |
503.935
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| Canonical SMILES |
CC1(C)Oc2ccc(cc2[C@H]([C@@H]1O)n1oc2cc(Cl)ccc2c1=O)S(=O)(=O)c1cccc(F)c1
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| InChI |
InChI=1S/C24H19ClFNO6S/c1-24(2)22(28)21(27-23(29)17-8-6-13(25)10-20(17)33-27)18-12-16(7-9-19(18)32-24)34(30,31)15-5-3-4-14(26)11-15/h3-12,21-22,28H,1-2H3/t21-,22+/m1/s1
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| InChIKey |
LHSSZOZFYAFNRR-YADHBBJMSA-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