General Information of the Compound
| Compound ID |
CP0216724
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| Compound Name |
6-((4-(2-(2-methylquinolin-5-yloxy)ethyl)piperazin-1-yl)methyl)-4-phenethyl-2H-benzo[b][1,4]oxazin-3(4H)-one
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| Structure |
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| Formula |
C33H36N4O3
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| Molecular Weight |
536.676
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| Canonical SMILES |
Cc1ccc2c(OCCN3CCN(Cc4ccc5OCC(=O)N(CCc6ccccc6)c5c4)CC3)cccc2n1
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| InChI |
InChI=1S/C33H36N4O3/c1-25-10-12-28-29(34-25)8-5-9-31(28)39-21-20-35-16-18-36(19-17-35)23-27-11-13-32-30(22-27)37(33(38)24-40-32)15-14-26-6-3-2-4-7-26/h2-13,22H,14-21,23-24H2,1H3
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| InChIKey |
PNQPSLZAXAGIOD-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