General Information of the Compound
| Compound ID |
CP0422808
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| Compound Name |
(3S,4R)-4-(5-Chloro-benzo[d]isoxazol-3-ylamino)-6-(3-fluoro-benzenesulfonyl)-2,2-dimethyl-chroman-3-ol
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| Structure |
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| Formula |
C24H20ClFN2O5S
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| Molecular Weight |
502.951
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| Canonical SMILES |
CC1(C)Oc2ccc(cc2[C@@H](Nc2noc3ccc(Cl)cc23)[C@@H]1O)S(=O)(=O)c1cccc(F)c1
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| InChI |
InChI=1S/C24H20ClFN2O5S/c1-24(2)22(29)21(27-23-18-10-13(25)6-8-20(18)33-28-23)17-12-16(7-9-19(17)32-24)34(30,31)15-5-3-4-14(26)11-15/h3-12,21-22,29H,1-2H3,(H,27,28)/t21-,22+/m1/s1
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| InChIKey |
FFFFDRTWHXOYSL-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