General Information of the Compound
| Compound ID |
CP0415353
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| Compound Name |
4-fluoranyl-N-[2-[1-(3-fluorophenyl)-4-oxidanylidene-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]benzamide;2,2,2-tris(fluoranyl)ethanoic acid
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| Structure |
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| Formula |
C22H24F2N4O2
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| Molecular Weight |
414.456
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)NCCN1CCC2(CC1)N(CNC2=O)c1cccc(F)c1
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| InChI |
InChI=1S/C22H24F2N4O2/c23-17-6-4-16(5-7-17)20(29)25-10-13-27-11-8-22(9-12-27)21(30)26-15-28(22)19-3-1-2-18(24)14-19/h1-7,14H,8-13,15H2,(H,25,29)(H,26,30)
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| InChIKey |
AUTVGUGBVJTDOF-UHFFFAOYSA-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