General Information of the Compound
| Compound ID |
CP0466364
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| Compound Name |
2-fluoro-5-(2-sulfanylidenespiro[1H-indole-3,1'-cyclohexane]-5-yl)benzonitrile
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| Structure |
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| Formula |
C20H17FN2S
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| Molecular Weight |
336.435
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| Canonical SMILES |
Fc1ccc(cc1C#N)-c1ccc2NC(=S)C3(CCCCC3)c2c1
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| InChI |
InChI=1S/C20H17FN2S/c21-17-6-4-13(10-15(17)12-22)14-5-7-18-16(11-14)20(19(24)23-18)8-2-1-3-9-20/h4-7,10-11H,1-3,8-9H2,(H,23,24)
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| InChIKey |
KUYWLBZOIZDHSF-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