General Information of the Compound
| Compound ID |
CP0422810
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| Compound Name |
(3S,4R)-6-Benzenesulfonyl-4-(5-chloro-benzo[d]-isoxazol-3-ylamino)-chroman-3-ol
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| Structure |
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| Formula |
C24H21ClN2O5S
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| Molecular Weight |
484.961
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| Canonical SMILES |
CC1(C)Oc2ccc(cc2[C@@H](Nc2noc3ccc(Cl)cc23)[C@@H]1O)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C24H21ClN2O5S/c1-24(2)22(28)21(26-23-18-12-14(25)8-10-20(18)32-27-23)17-13-16(9-11-19(17)31-24)33(29,30)15-6-4-3-5-7-15/h3-13,21-22,28H,1-2H3,(H,26,27)/t21-,22+/m1/s1
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| InChIKey |
SVLCHCRRCKEHBS-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