General Information of the Compound
| Compound ID |
CP0498771
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| Compound Name |
8-[3-[4-(7-fluoro-2-methylquinolin-5-yl)piperazin-1-yl]propyl]-4-methyl-1,4-benzoxazin-3-one
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| Structure |
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| Formula |
C26H29FN4O2
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| Molecular Weight |
448.542
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| Canonical SMILES |
CN1C(=O)COc2c(CCCN3CCN(CC3)c3cc(F)cc4nc(C)ccc34)cccc12
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| InChI |
InChI=1S/C26H29FN4O2/c1-18-8-9-21-22(28-18)15-20(27)16-24(21)31-13-11-30(12-14-31)10-4-6-19-5-3-7-23-26(19)33-17-25(32)29(23)2/h3,5,7-9,15-16H,4,6,10-14,17H2,1-2H3
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| InChIKey |
DFRRWIGBGSRDTE-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT00871, Sodium-dependent serotonin transporter