General Information of the Compound
| Compound ID |
CP0422492
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| Compound Name |
6-[2-[4-(7-chloro-2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one
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| Structure |
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| Formula |
C24H25ClN4O2
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| Molecular Weight |
436.943
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| Canonical SMILES |
Cc1ccc2c(cc(Cl)cc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
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| InChI |
InChI=1S/C24H25ClN4O2/c1-16-2-4-19-20(26-16)13-18(25)14-22(19)29-10-8-28(9-11-29)7-6-17-3-5-23-21(12-17)27-24(30)15-31-23/h2-5,12-14H,6-11,15H2,1H3,(H,27,30)
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| InChIKey |
VOSXYXQMEFDJMI-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