General Information of the Compound
| Compound ID |
CP0478210
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| Compound Name |
4-propyl-5-(2-sulfanylidenespiro[1H-indole-3,1'-cyclohexane]-5-yl)thiophene-2-carbonitrile
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| Structure |
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| Formula |
C21H22N2S2
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| Molecular Weight |
366.555
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| Canonical SMILES |
CCCc1cc(sc1-c1ccc2NC(=S)C3(CCCCC3)c2c1)C#N
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| InChI |
InChI=1S/C21H22N2S2/c1-2-6-14-11-16(13-22)25-19(14)15-7-8-18-17(12-15)21(20(24)23-18)9-4-3-5-10-21/h7-8,11-12H,2-6,9-10H2,1H3,(H,23,24)
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| InChIKey |
PAUBJWRHNISXMR-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