General Information of the Compound
| Compound ID |
CP0461349
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| Compound Name |
4-(2-sulfanylidenespiro[1H-indole-3,1'-cyclohexane]-5-yl)thiophene-2-carbonitrile
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| Structure |
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| Formula |
C18H16N2S2
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| Molecular Weight |
324.474
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| Canonical SMILES |
S=C1Nc2ccc(cc2C11CCCCC1)-c1csc(c1)C#N
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| InChI |
InChI=1S/C18H16N2S2/c19-10-14-8-13(11-22-14)12-4-5-16-15(9-12)18(17(21)20-16)6-2-1-3-7-18/h4-5,8-9,11H,1-3,6-7H2,(H,20,21)
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| InChIKey |
CRDUPEZGPAEXIK-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