General Information of the Compound
| Compound ID |
CP0454951
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| Compound Name |
6-(3-chloro-4-fluorophenyl)-1-(1-ethylpropyl)-1,3-dihydro-2H-benzimidazole-2-thione
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| Structure |
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| Formula |
C18H18ClFN2S
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| Molecular Weight |
348.874
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| Canonical SMILES |
CCC(CC)n1c2cc(ccc2[nH]c1=S)-c1ccc(F)c(Cl)c1
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| InChI |
InChI=1S/C18H18ClFN2S/c1-3-13(4-2)22-17-10-12(6-8-16(17)21-18(22)23)11-5-7-15(20)14(19)9-11/h5-10,13H,3-4H2,1-2H3,(H,21,23)
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| InChIKey |
JLDPVBOKSKHILH-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