General Information of the Compound
| Compound ID |
CP0535744
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| Compound Name |
5-[9-[3-(3,5-difluorophenoxy)-2-fluoropropyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-3-methyl-1,2,4-oxadiazole
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| Structure |
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| Formula |
C24H22F3N3O2
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| Molecular Weight |
441.453
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| Canonical SMILES |
Cc1noc(n1)-c1ccc2n(CC(F)COc3cc(F)cc(F)c3)c3CCCCc3c2c1
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| InChI |
InChI=1S/C24H22F3N3O2/c1-14-28-24(32-29-14)15-6-7-23-21(8-15)20-4-2-3-5-22(20)30(23)12-18(27)13-31-19-10-16(25)9-17(26)11-19/h6-11,18H,2-5,12-13H2,1H3
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| InChIKey |
MAJDGZOZHNXQSL-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