General Information of the Compound
| Compound ID |
CP0546336
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| Compound Name |
4-fluoro-N-[(2S)-1-(7-fluoro-2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)propan-2-yl]benzamide
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| Structure |
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| Formula |
C22H23F2N3O3
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| Molecular Weight |
415.44
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| Canonical SMILES |
C[C@@H](CN1CCC2(CC1)OC(=O)Nc1cc(F)ccc21)NC(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C22H23F2N3O3/c1-14(25-20(28)15-2-4-16(23)5-3-15)13-27-10-8-22(9-11-27)18-7-6-17(24)12-19(18)26-21(29)30-22/h2-7,12,14H,8-11,13H2,1H3,(H,25,28)(H,26,29)/t14-/m0/s1
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| InChIKey |
SAYDLSNHEFBCSP-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