General Information of the Compound
| Compound ID |
CP0484072
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| Compound Name |
2-pentan-3-ylsulfanyl-6-piperazin-1-yl-1H-benzimidazole
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| Structure |
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| Formula |
C16H24N4S
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| Molecular Weight |
304.463
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| Canonical SMILES |
CCC(CC)Sc1nc2ccc(cc2[nH]1)N1CCNCC1
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| InChI |
InChI=1S/C16H24N4S/c1-3-13(4-2)21-16-18-14-6-5-12(11-15(14)19-16)20-9-7-17-8-10-20/h5-6,11,13,17H,3-4,7-10H2,1-2H3,(H,18,19)
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| InChIKey |
QDFSDUMDYCMYRI-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