General Information of the Compound
| Compound ID |
CP0417454
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| Compound Name |
3-[(3-chlorophenyl)methyl]-7-piperazin-1-yl-2-propan-2-ylimidazo[4,5-b]pyridine
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| Structure |
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| Formula |
C20H24ClN5
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| Molecular Weight |
369.9
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| Canonical SMILES |
CC(C)c1nc2c(ccnc2n1Cc1cccc(Cl)c1)N1CCNCC1
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| InChI |
InChI=1S/C20H24ClN5/c1-14(2)19-24-18-17(25-10-8-22-9-11-25)6-7-23-20(18)26(19)13-15-4-3-5-16(21)12-15/h3-7,12,14,22H,8-11,13H2,1-2H3
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| InChIKey |
OQJMIPYHRMQITD-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor