General Information of the Compound
| Compound ID |
CP0399587
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| Compound Name |
2-[(2,3-dichlorophenyl)methylsulfanyl]-6-fluoro-5-piperazin-1-yl-1H-benzimidazole
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| Structure |
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| Formula |
C18H17Cl2FN4S
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| Molecular Weight |
411.333
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| Canonical SMILES |
Fc1cc2nc(SCc3cccc(Cl)c3Cl)[nH]c2cc1N1CCNCC1
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| InChI |
InChI=1S/C18H17Cl2FN4S/c19-12-3-1-2-11(17(12)20)10-26-18-23-14-8-13(21)16(9-15(14)24-18)25-6-4-22-5-7-25/h1-3,8-9,22H,4-7,10H2,(H,23,24)
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| InChIKey |
FROPEUUNCJWFSP-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