General Information of the Compound
| Compound ID |
CP0431372
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| Compound Name |
5-fluoro-1-(4-(3-(piperidin-1-yl)propoxy)phenyl)-1H-benzo[d]imidazole-2(3H)-thione
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| Structure |
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| Formula |
C21H24FN3OS
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| Molecular Weight |
385.508
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| Canonical SMILES |
Fc1ccc2n(-c3ccc(OCCCN4CCCCC4)cc3)c(=S)[nH]c2c1
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| InChI |
InChI=1S/C21H24FN3OS/c22-16-5-10-20-19(15-16)23-21(27)25(20)17-6-8-18(9-7-17)26-14-4-13-24-11-2-1-3-12-24/h5-10,15H,1-4,11-14H2,(H,23,27)
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| InChIKey |
JUGGIWHGQWMUBH-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