General Information of the Compound
| Compound ID |
CP0467669
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| Compound Name |
(3S,4R)-(5-Chloro-3-oxo-3H-benzo[d]isoxazol-2-yl)-3-hydroxy-2,2-dimethyl-chroman-6-sulfonic acid diethylamide
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| Structure |
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| Formula |
C22H25ClN2O6S
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| Molecular Weight |
480.97
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| Canonical SMILES |
CCN(CC)S(=O)(=O)c1ccc2OC(C)(C)[C@@H](O)[C@@H](c2c1)n1oc2ccc(Cl)cc2c1=O
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| InChI |
InChI=1S/C22H25ClN2O6S/c1-5-24(6-2)32(28,29)14-8-10-17-15(12-14)19(20(26)22(3,4)30-17)25-21(27)16-11-13(23)7-9-18(16)31-25/h7-12,19-20,26H,5-6H2,1-4H3/t19-,20+/m1/s1
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| InChIKey |
OINNSETUQQXMNK-UXHICEINSA-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