General Information of the Compound
| Compound ID |
CP0233605
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| Compound Name |
6-(2-(4-(2-methylquinolin-5-yl)piperazin-1-yl)ethyl)-4H-benzo[b]imidazo[1,5-d][1,4]oxazine-3-carbonitrile
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| Structure |
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| Formula |
C27H26N6O
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| Molecular Weight |
450.546
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| Canonical SMILES |
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2c(ncn-32)C#N)CC1
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| InChI |
InChI=1S/C27H26N6O/c1-19-8-9-21-22(30-19)5-3-6-24(21)32-14-12-31(13-15-32)11-10-20-4-2-7-25-27(20)34-17-26-23(16-28)29-18-33(25)26/h2-9,18H,10-15,17H2,1H3
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| InChIKey |
YXCVIEZEXGTOJS-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