General Information of the Compound
| Compound ID |
CP0291722
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| Compound Name |
4-methyl-8-[3-[4-(2-methylquinolin-5-yl)piperazin-1-yl]propyl]-1,4-benzoxazin-3-one
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| Structure |
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| Formula |
C26H30N4O2
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| Molecular Weight |
430.552
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| Canonical SMILES |
CN1C(=O)COc2c(CCCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc12
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| InChI |
InChI=1S/C26H30N4O2/c1-19-11-12-21-22(27-19)8-4-9-23(21)30-16-14-29(15-17-30)13-5-7-20-6-3-10-24-26(20)32-18-25(31)28(24)2/h3-4,6,8-12H,5,7,13-18H2,1-2H3
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| InChIKey |
LXAUCMFDVSJMGT-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