General Information of the Compound
| Compound ID |
CP0391360
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| Compound Name |
3-(2-nitro-1-thiophen-2-ylethyl)-2-phenyl-1H-indole-6-carbonitrile
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| Structure |
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| Formula |
C21H15N3O2S
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| Molecular Weight |
373.437
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| Canonical SMILES |
[O-][N+](=O)CC(c1cccs1)c1c([nH]c2cc(ccc12)C#N)-c1ccccc1
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| InChI |
InChI=1S/C21H15N3O2S/c22-12-14-8-9-16-18(11-14)23-21(15-5-2-1-3-6-15)20(16)17(13-24(25)26)19-7-4-10-27-19/h1-11,17,23H,13H2
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| InChIKey |
HBOPEEJOMPTPGH-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