General Information of the Compound
| Compound ID |
CP0575752
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| Compound Name |
4-fluoro-N-[(2S)-1-(2-oxospiro[1H-pyrido[4,3-d][1,3]oxazine-4,4'-piperidine]-1'-yl)propan-2-yl]benzamide
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| Structure |
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| Formula |
C21H23FN4O3
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| Molecular Weight |
398.438
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| Canonical SMILES |
C[C@@H](CN1CCC2(CC1)OC(=O)Nc1ccncc21)NC(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C21H23FN4O3/c1-14(24-19(27)15-2-4-16(22)5-3-15)13-26-10-7-21(8-11-26)17-12-23-9-6-18(17)25-20(28)29-21/h2-6,9,12,14H,7-8,10-11,13H2,1H3,(H,24,27)(H,25,28)/t14-/m0/s1
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| InChIKey |
FICBTKLLNFBMSQ-AWEZNQCLSA-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