General Information of the Compound
| Compound ID |
CP0555070
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| Compound Name |
4-methyl-5-(2-sulfanylidenespiro[1H-indole-3,1'-cyclohexane]-5-yl)thiophene-2-carbonitrile
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| Structure |
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| Formula |
C19H18N2S2
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| Molecular Weight |
338.501
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| Canonical SMILES |
Cc1cc(sc1-c1ccc2NC(=S)C3(CCCCC3)c2c1)C#N
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| InChI |
InChI=1S/C19H18N2S2/c1-12-9-14(11-20)23-17(12)13-5-6-16-15(10-13)19(18(22)21-16)7-3-2-4-8-19/h5-6,9-10H,2-4,7-8H2,1H3,(H,21,22)
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| InChIKey |
YXOZMFMNOYPEFX-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