General Information of the Compound
| Compound ID |
CP0454953
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| Compound Name |
5-[3-(1-ethylpropyl)-2-thioxo-2,3-dihydro-1H-benzimidazol-5-yl]-1-methyl-1H-pyrrole-2-carbonitrile
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| Structure |
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| Formula |
C18H20N4S
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| Molecular Weight |
324.453
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| Canonical SMILES |
CCC(CC)n1c2cc(ccc2[nH]c1=S)-c1ccc(C#N)n1C
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| InChI |
InChI=1S/C18H20N4S/c1-4-13(5-2)22-17-10-12(6-8-15(17)20-18(22)23)16-9-7-14(11-19)21(16)3/h6-10,13H,4-5H2,1-3H3,(H,20,23)
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| InChIKey |
GHEHCPCEQODWQK-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