General Information of the Compound
| Compound ID |
CP0518982
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| Compound Name |
3-[(3-chlorophenyl)methyl]-7-piperazin-1-yl-2-thiophen-2-ylimidazo[4,5-b]pyridine
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| Structure |
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| Formula |
C21H20ClN5S
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| Molecular Weight |
409.946
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| Canonical SMILES |
Clc1cccc(Cn2c(nc3c(ccnc23)N2CCNCC2)-c2cccs2)c1
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| InChI |
InChI=1S/C21H20ClN5S/c22-16-4-1-3-15(13-16)14-27-20(18-5-2-12-28-18)25-19-17(6-7-24-21(19)27)26-10-8-23-9-11-26/h1-7,12-13,23H,8-11,14H2
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| InChIKey |
YHMKJORXLRLPKK-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