General Information of the Compound
| Compound ID |
CP0477002
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| Compound Name |
9-[3-(3,5-difluorophenyl)sulfanylpropyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-carbazol-4-one
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| Structure |
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| Formula |
C24H21F2N3O2S
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| Molecular Weight |
453.514
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| Canonical SMILES |
Cc1noc(n1)-c1ccc2n(CCCSc3cc(F)cc(F)c3)c3CCCC(=O)c3c2c1
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| InChI |
InChI=1S/C24H21F2N3O2S/c1-14-27-24(31-28-14)15-6-7-20-19(10-15)23-21(4-2-5-22(23)30)29(20)8-3-9-32-18-12-16(25)11-17(26)13-18/h6-7,10-13H,2-5,8-9H2,1H3
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| InChIKey |
XNGLPHCLSUAVMS-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