General Information of the Compound
| Compound ID |
CP0498761
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| Compound Name |
8-[2-[4-(7-fluoro-2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4-methyl-1,4-benzoxazin-3-one
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| Structure |
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| Formula |
C25H27FN4O2
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| Molecular Weight |
434.515
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| Canonical SMILES |
CN1C(=O)COc2c(CCN3CCN(CC3)c3cc(F)cc4nc(C)ccc34)cccc12
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| InChI |
InChI=1S/C25H27FN4O2/c1-17-6-7-20-21(27-17)14-19(26)15-23(20)30-12-10-29(11-13-30)9-8-18-4-3-5-22-25(18)32-16-24(31)28(22)2/h3-7,14-15H,8-13,16H2,1-2H3
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| InChIKey |
SQAJJIRLNALPSN-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