General Information of the Compound
| Compound ID |
CP0502781
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| Compound Name |
N-[2-[1-(3,4-difluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-4-fluorobenzamide
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| Structure |
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| Formula |
C22H23F3N4O2
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| Molecular Weight |
432.446
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)NCCN1CCC2(CC1)N(CNC2=O)c1ccc(F)c(F)c1
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| InChI |
InChI=1S/C22H23F3N4O2/c23-16-3-1-15(2-4-16)20(30)26-9-12-28-10-7-22(8-11-28)21(31)27-14-29(22)17-5-6-18(24)19(25)13-17/h1-6,13H,7-12,14H2,(H,26,30)(H,27,31)
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| InChIKey |
XFGKFNGSCUSDRY-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