General Information of the Compound
| Compound ID |
CP0486495
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| Compound Name |
6-chloro-2-pentan-3-ylsulfanyl-5-piperazin-1-yl-1H-benzimidazole
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| Structure |
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| Formula |
C16H23ClN4S
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| Molecular Weight |
338.908
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| Canonical SMILES |
CCC(CC)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCNCC1
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| InChI |
InChI=1S/C16H23ClN4S/c1-3-11(4-2)22-16-19-13-9-12(17)15(10-14(13)20-16)21-7-5-18-6-8-21/h9-11,18H,3-8H2,1-2H3,(H,19,20)
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| InChIKey |
IREAFUQXIISQHN-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