General Information of the Compound
| Compound ID |
CP0398824
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| Compound Name |
N-[3-[[(3S,4R)-6-[(5,6-difluoro-1,3-benzothiazol-2-yl)methoxy]-4-(hydroxymethyl)-2,2-dimethyl-3,4-dihydrochromen-3-yl]methyl]-4-methoxyphenyl]-1,1,1-trifluoromethanesulfonamide
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| Structure |
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| Formula |
C29H27F5N2O6S2
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| Molecular Weight |
658.667
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| Canonical SMILES |
COc1ccc(NS(=O)(=O)C(F)(F)F)cc1C[C@H]1[C@@H](CO)c2cc(OCc3nc4cc(F)c(F)cc4s3)ccc2OC1(C)C
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| InChI |
InChI=1S/C29H27F5N2O6S2/c1-28(2)20(9-15-8-16(4-6-24(15)40-3)36-44(38,39)29(32,33)34)19(13-37)18-10-17(5-7-25(18)42-28)41-14-27-35-23-11-21(30)22(31)12-26(23)43-27/h4-8,10-12,19-20,36-37H,9,13-14H2,1-3H3/t19-,20-/m0/s1
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| InChIKey |
SUDOZCYSAWMAFV-PMACEKPBSA-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