General Information of the Compound
| Compound ID |
CP0515605
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| Compound Name |
1-(3-chlorophenyl)sulfonyl-2-ethyl-4-piperazin-1-ylimidazo[4,5-c]pyridine
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| Formula |
C18H20ClN5O2S
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| Molecular Weight |
405.911
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| Canonical SMILES |
CCc1nc2c(nccc2n1S(=O)(=O)c1cccc(Cl)c1)N1CCNCC1
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| InChI |
InChI=1S/C18H20ClN5O2S/c1-2-16-22-17-15(6-7-21-18(17)23-10-8-20-9-11-23)24(16)27(25,26)14-5-3-4-13(19)12-14/h3-7,12,20H,2,8-11H2,1H3
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| InChIKey |
GATDTMAYFGZGAV-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01354, 5-hydroxytryptamine receptor 6