General Information of the Compound
| Compound ID |
CP0518984
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| Compound Name |
3-[2-(3-chlorophenyl)ethyl]-7-piperazin-1-yl-2-propan-2-ylimidazo[4,5-b]pyridine
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| Structure |
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| Formula |
C21H26ClN5
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| Molecular Weight |
383.927
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| Canonical SMILES |
CC(C)c1nc2c(ccnc2n1CCc1cccc(Cl)c1)N1CCNCC1
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| InChI |
InChI=1S/C21H26ClN5/c1-15(2)20-25-19-18(26-12-9-23-10-13-26)6-8-24-21(19)27(20)11-7-16-4-3-5-17(22)14-16/h3-6,8,14-15,23H,7,9-13H2,1-2H3
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| InChIKey |
LFVPNNRGWXXMPD-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