General Information of the Compound
| Compound ID |
CP0486494
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| Compound Name |
2-[4-(6-chloro-2-propan-2-ylsulfanyl-1H-benzimidazol-5-yl)piperazin-1-yl]ethanol
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| Structure |
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| Formula |
C16H23ClN4OS
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| Molecular Weight |
354.907
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| Canonical SMILES |
CC(C)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)CC1
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| InChI |
InChI=1S/C16H23ClN4OS/c1-11(2)23-16-18-13-9-12(17)15(10-14(13)19-16)21-5-3-20(4-6-21)7-8-22/h9-11,22H,3-8H2,1-2H3,(H,18,19)
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| InChIKey |
SREDJGDTFRKPKG-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
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor