General Information of the Compound
| Compound ID |
CP0124306
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| Compound Name |
ethyl 6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxylate
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| Structure |
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| Formula |
C29H31N5O3
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| Molecular Weight |
497.599
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| Canonical SMILES |
CCOC(=O)c1ncn-2c1COc1c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc-21
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| InChI |
InChI=1S/C29H31N5O3/c1-3-36-29(35)27-26-18-37-28-21(6-4-9-25(28)34(26)19-30-27)12-13-32-14-16-33(17-15-32)24-8-5-7-23-22(24)11-10-20(2)31-23/h4-11,19H,3,12-18H2,1-2H3
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| InChIKey |
ULXBTCAXCQWKDE-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
Protein ID: PT00871, Sodium-dependent serotonin transporter