General Information of the Compound
| Compound ID |
CP0479056
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| Compound Name |
1-methyl-5-(4-(thiophene-2-carbonyl)phenyl)-1H-pyrrole-2-carbonitrile
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| Structure |
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| Formula |
C17H12N2OS
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| Molecular Weight |
292.363
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| Canonical SMILES |
Cn1c(ccc1-c1ccc(cc1)C(=O)c1cccs1)C#N
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| InChI |
InChI=1S/C17H12N2OS/c1-19-14(11-18)8-9-15(19)12-4-6-13(7-5-12)17(20)16-3-2-10-21-16/h2-10H,1H3
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| InChIKey |
KLKMLAMOUPGBFU-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