General Information of the Compound
| Compound ID |
CP0530484
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| Compound Name |
3-chloro-N-[4-[1-(propylcarbamoyl)cyclobutyl]phenyl]benzamide
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| Structure |
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| Formula |
C21H23ClN2O2
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| Molecular Weight |
370.88
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| Canonical SMILES |
CCCNC(=O)C1(CCC1)c1ccc(NC(=O)c2cccc(Cl)c2)cc1
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| InChI |
InChI=1S/C21H23ClN2O2/c1-2-13-23-20(26)21(11-4-12-21)16-7-9-18(10-8-16)24-19(25)15-5-3-6-17(22)14-15/h3,5-10,14H,2,4,11-13H2,1H3,(H,23,26)(H,24,25)
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| InChIKey |
UIZYWUYIFDOVIY-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: PT00897, Potassium voltage-gated channel subfamily H member 2