General Information of the Compound
| Compound ID |
CP0497406
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| Compound Name |
5-[9-[3-(3,4-difluorophenyl)sulfanylpropyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-3-methyl-1,2,4-oxadiazole
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| Structure |
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| Formula |
C24H23F2N3OS
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| Molecular Weight |
439.531
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| Canonical SMILES |
Cc1noc(n1)-c1ccc2n(CCCSc3ccc(F)c(F)c3)c3CCCCc3c2c1
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| InChI |
InChI=1S/C24H23F2N3OS/c1-15-27-24(30-28-15)16-7-10-23-19(13-16)18-5-2-3-6-22(18)29(23)11-4-12-31-17-8-9-20(25)21(26)14-17/h7-10,13-14H,2-6,11-12H2,1H3
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| InChIKey |
VEXKZUIYFMPEOR-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