General Information of the Compound
| Compound ID |
CP0311381
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| Compound Name |
2-(4-(2-(tert-butylthio)-6-chloro-3H-benzo[d]imidazol-5-yl)piperazin-1-yl)ethanol
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| Structure |
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| Formula |
C17H25ClN4OS
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| Molecular Weight |
368.934
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| Canonical SMILES |
CC(C)(C)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)CC1
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| InChI |
InChI=1S/C17H25ClN4OS/c1-17(2,3)24-16-19-13-10-12(18)15(11-14(13)20-16)22-6-4-21(5-7-22)8-9-23/h10-11,23H,4-9H2,1-3H3,(H,19,20)
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| InChIKey |
NXTWTUDFHBDVOS-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