General Information of the Compound
| Compound ID |
CP0364061
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| Compound Name |
2-[6-[3-(difluoromethoxy)-5-fluorophenyl]-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindol-2-yl]-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethanone
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| Structure |
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| Formula |
C29H24F6N2O5S
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| Molecular Weight |
626.575
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| Canonical SMILES |
FC(F)Oc1cc(F)cc(c1)-c1ccc2CC(CC(=O)N3CC4(COC4)C3)N(c2c1)S(=O)(=O)c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C29H24F6N2O5S/c30-21-6-19(8-23(11-21)42-27(31)32)17-4-5-18-7-22(12-26(38)36-13-28(14-36)15-41-16-28)37(25(18)9-17)43(39,40)24-3-1-2-20(10-24)29(33,34)35/h1-6,8-11,22,27H,7,12-16H2
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| InChIKey |
QSFHXYRGMIEPQE-UHFFFAOYSA-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