General Information of the Compound
| Compound ID |
CP0116805
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| Compound Name |
1-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]-3-phenylurea
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| Structure |
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| Formula |
C29H31N5O
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| Molecular Weight |
465.601
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| Canonical SMILES |
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc(NC(=O)Nc3ccccc3)c2)CC1
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| InChI |
InChI=1S/C29H31N5O/c1-22-13-14-26-27(30-22)11-6-12-28(26)34-19-17-33(18-20-34)16-15-23-7-5-10-25(21-23)32-29(35)31-24-8-3-2-4-9-24/h2-14,21H,15-20H2,1H3,(H2,31,32,35)
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| InChIKey |
SYOADIUGRJTHHU-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: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D