General Information of the Compound
| Compound ID |
CP0497033
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| Compound Name |
5-(3-fluoro-5-methoxyphenyl)spiro[1H-indole-3,1'-cyclohexane]-2-thione
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| Structure |
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| Formula |
C20H20FNOS
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| Molecular Weight |
341.451
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| Canonical SMILES |
COc1cc(F)cc(c1)-c1ccc2NC(=S)C3(CCCCC3)c2c1
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| InChI |
InChI=1S/C20H20FNOS/c1-23-16-10-14(9-15(21)12-16)13-5-6-18-17(11-13)20(19(24)22-18)7-3-2-4-8-20/h5-6,9-12H,2-4,7-8H2,1H3,(H,22,24)
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| InChIKey |
MLPXJNYJKQYTRC-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