General Information of the Compound
| Compound ID |
CP0523695
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| Compound Name |
5-[9-[3-(3,5-difluorophenyl)sulfinylpropyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-3-methyl-1,2,4-oxadiazole
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| Structure |
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| Formula |
C24H23F2N3O2S
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| Molecular Weight |
455.53
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| Canonical SMILES |
Cc1noc(n1)-c1ccc2n(CCCS(=O)c3cc(F)cc(F)c3)c3CCCCc3c2c1
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| InChI |
InChI=1S/C24H23F2N3O2S/c1-15-27-24(31-28-15)16-7-8-23-21(11-16)20-5-2-3-6-22(20)29(23)9-4-10-32(30)19-13-17(25)12-18(26)14-19/h7-8,11-14H,2-6,9-10H2,1H3
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| InChIKey |
MHYHKSKJIFVUSR-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