General Information of the Compound
| Compound ID |
CP0546342
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| Compound Name |
4-fluoro-N-[(2S)-1-(2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-yl)propan-2-yl]benzamide
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| Structure |
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| Formula |
C23H26FN3O2
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| Molecular Weight |
395.478
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| Canonical SMILES |
C[C@@H](CN1CCC2(CC1)CC(=O)Nc1ccccc21)NC(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C23H26FN3O2/c1-16(25-22(29)17-6-8-18(24)9-7-17)15-27-12-10-23(11-13-27)14-21(28)26-20-5-3-2-4-19(20)23/h2-9,16H,10-15H2,1H3,(H,25,29)(H,26,28)/t16-/m0/s1
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| InChIKey |
MJFKEOMGTUZOQS-INIZCTEOSA-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: PT01943, Phospholipase D1
Protein ID: PT01153, Phospholipase D2