General Information of the Compound
| Compound ID |
CP0201704
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| Compound Name |
4-benzyl-6-((4-(2-(2-methylquinolin-5-yloxy)ethyl)piperazin-1-yl)methyl)-2H-benzo[b][1,4]oxazin-3(4H)-one
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| Structure |
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| Formula |
C32H34N4O3
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| Molecular Weight |
522.649
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| Canonical SMILES |
Cc1ccc2c(OCCN3CCN(Cc4ccc5OCC(=O)N(Cc6ccccc6)c5c4)CC3)cccc2n1
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| InChI |
InChI=1S/C32H34N4O3/c1-24-10-12-27-28(33-24)8-5-9-30(27)38-19-18-34-14-16-35(17-15-34)21-26-11-13-31-29(20-26)36(32(37)23-39-31)22-25-6-3-2-4-7-25/h2-13,20H,14-19,21-23H2,1H3
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| InChIKey |
IBOXMUIHNFMJTF-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