General Information of the Compound
| Compound ID |
CP0481334
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| Compound Name |
benzimidazolone scaffold, 15m
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| Structure |
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| Formula |
C22H27ClN4O
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| Molecular Weight |
398.938
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| Canonical SMILES |
Clc1ccc(cc1)N1CCN(CCCCCn2c3ccccc3[nH]c2=O)CC1
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| InChI |
InChI=1S/C22H27ClN4O/c23-18-8-10-19(11-9-18)26-16-14-25(15-17-26)12-4-1-5-13-27-21-7-3-2-6-20(21)24-22(27)28/h2-3,6-11H,1,4-5,12-17H2,(H,24,28)
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| InChIKey |
TVPSEBODOVXBNB-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: PT00941, 5-hydroxytryptamine receptor 7