General Information of the Compound
| Compound ID |
CP0459628
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| Compound Name |
3-(4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl)-4-morpholinobenzonitrile
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| Structure |
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| Formula |
C24H25FN4O3
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| Molecular Weight |
436.487
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| Canonical SMILES |
CC(=O)c1ccc(N2CCN(CC2)C(=O)c2cc(ccc2N2CCOCC2)C#N)c(F)c1
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| InChI |
InChI=1S/C24H25FN4O3/c1-17(30)19-3-5-23(21(25)15-19)27-6-8-29(9-7-27)24(31)20-14-18(16-26)2-4-22(20)28-10-12-32-13-11-28/h2-5,14-15H,6-13H2,1H3
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| InChIKey |
UIOCFWCJDKQTSI-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: PT02185, Sodium- and chloride-dependent glycine transporter 1
Protein ID: PT01521, Sodium- and chloride-dependent glycine transporter 2