General Information of the Compound
| Compound ID |
CP0544571
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| Compound Name |
4-fluoro-N-[(2S)-1-(3-methyl-2-oxospiro[1H-quinazoline-4,4'-piperidine]-1'-yl)propan-2-yl]benzamide
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| Structure |
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| Formula |
C23H27FN4O2
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| Molecular Weight |
410.493
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| Canonical SMILES |
C[C@@H](CN1CCC2(CC1)N(C)C(=O)Nc1ccccc21)NC(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C23H27FN4O2/c1-16(25-21(29)17-7-9-18(24)10-8-17)15-28-13-11-23(12-14-28)19-5-3-4-6-20(19)26-22(30)27(23)2/h3-10,16H,11-15H2,1-2H3,(H,25,29)(H,26,30)/t16-/m0/s1
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| InChIKey |
QMUVQYUFNCPMJC-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