General Information of the Compound
| Compound ID |
CP0267266
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| Compound Name |
N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-3,3-dimethylpiperidin-1-yl]-2-oxoacetamide
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| Structure |
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| Formula |
C24H23ClFN3O2
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| Molecular Weight |
439.918
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| Canonical SMILES |
CC1(C)CN(CCC1c1ccnc2ccc(F)cc12)C(=O)C(=O)Nc1ccc(Cl)cc1
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| InChI |
InChI=1S/C24H23ClFN3O2/c1-24(2)14-29(23(31)22(30)28-17-6-3-15(25)4-7-17)12-10-20(24)18-9-11-27-21-8-5-16(26)13-19(18)21/h3-9,11,13,20H,10,12,14H2,1-2H3,(H,28,30)
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| InChIKey |
KLBRJGLBPSMKQT-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: PT01557, Indoleamine 2,3-dioxygenase 1
Protein ID: PT02896, Tryptophan 2,3-dioxygenase