General Information of the Compound
| Compound ID |
CP0437280
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| Compound Name |
6-chloro-5-(4-ethylpiperazin-1-yl)-2-pentan-3-ylsulfanyl-1H-benzimidazole
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| Structure |
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| Formula |
C18H27ClN4S
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| Molecular Weight |
366.962
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| Canonical SMILES |
CCC(CC)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CC)CC1
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| InChI |
InChI=1S/C18H27ClN4S/c1-4-13(5-2)24-18-20-15-11-14(19)17(12-16(15)21-18)23-9-7-22(6-3)8-10-23/h11-13H,4-10H2,1-3H3,(H,20,21)
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| InChIKey |
SFAFOFYAVJUENM-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