General Information of the Compound
| Compound ID |
CP0507640
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| Compound Name |
1,1,1-trifluoro-N-(3-(((3S,4R)-4-(hydroxymethyl)-2,2-dimethyl-7-(2-(6-methylquinolin-2-yl)vinyl)chroman-3-yl)methyl)-4-methoxyphenyl)methanesulfonamide
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| Structure |
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| Formula |
C33H33F3N2O5S
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| Molecular Weight |
626.697
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| Canonical SMILES |
COc1ccc(NS(=O)(=O)C(F)(F)F)cc1C[C@H]1[C@@H](CO)c2cc(\C=C\c3ccc4ccc(C)cc4n3)ccc2OC1(C)C
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| InChI |
InChI=1S/C33H33F3N2O5S/c1-20-5-8-22-9-11-24(37-29(22)15-20)10-6-21-7-13-31-26(16-21)27(19-39)28(32(2,3)43-31)18-23-17-25(12-14-30(23)42-4)38-44(40,41)33(34,35)36/h5-17,27-28,38-39H,18-19H2,1-4H3/b10-6+/t27-,28-/m0/s1
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| InChIKey |
SSDUBZIKJQBPNW-VIYFAYNESA-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