General Information of the Compound
| Compound ID |
CP0845557
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| Compound Name |
2-(Methyloxy)-N-(3-{2-[4-(2-methyl-5-quinolinyl)-1-piperazinyl]-ethyl}phenyl)Benzamide
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| Structure |
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| Formula |
C30H32N4O2
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| Molecular Weight |
480.612
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| Canonical SMILES |
COc1ccccc1C(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1
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| InChI |
InChI=1S/C30H32N4O2/c1-22-13-14-25-27(31-22)10-6-11-28(25)34-19-17-33(18-20-34)16-15-23-7-5-8-24(21-23)32-30(35)26-9-3-4-12-29(26)36-2/h3-14,21H,15-20H2,1-2H3,(H,32,35)
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| InChIKey |
LAGFATPSBLZHLT-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