General Information of the Compound
| Compound ID |
CP0501723
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| Compound Name |
1,1,1-trifluoro-N-(3-(((3S,4R)-4-(hydroxymethyl)-2,2-dimethyl-7-((6-methylquinolin-2-yl)methoxy)chroman-3-yl)methyl)-4-methoxyphenyl)methanesulfonamide
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| Structure |
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| Formula |
C32H33F3N2O6S
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| Molecular Weight |
630.685
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| Canonical SMILES |
COc1ccc(NS(=O)(=O)C(F)(F)F)cc1C[C@H]1[C@@H](CO)c2cc(OCc3ccc4ccc(C)cc4n3)ccc2OC1(C)C
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| InChI |
InChI=1S/C32H33F3N2O6S/c1-19-5-6-20-7-8-23(36-28(20)13-19)18-42-24-10-12-30-25(16-24)26(17-38)27(31(2,3)43-30)15-21-14-22(9-11-29(21)41-4)37-44(39,40)32(33,34)35/h5-14,16,26-27,37-38H,15,17-18H2,1-4H3/t26-,27-/m0/s1
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| InChIKey |
CVDSOAXGLZLWEL-SVBPBHIXSA-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