General Information of the Compound
| Compound ID |
CP0546337
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| Compound Name |
4-fluoro-N-[(2S)-1-(2-oxospiro[1,3-dihydroquinazoline-4,4'-piperidine]-1'-yl)propan-2-yl]benzamide
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| Structure |
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| Formula |
C22H25FN4O2
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| Molecular Weight |
396.466
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| Canonical SMILES |
C[C@@H](CN1CCC2(CC1)NC(=O)Nc1ccccc21)NC(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C22H25FN4O2/c1-15(24-20(28)16-6-8-17(23)9-7-16)14-27-12-10-22(11-13-27)18-4-2-3-5-19(18)25-21(29)26-22/h2-9,15H,10-14H2,1H3,(H,24,28)(H2,25,26,29)/t15-/m0/s1
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| InChIKey |
ZFTHKCSBZRGVPP-HNNXBMFYSA-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