General Information of the Compound
| Compound ID |
CP0424926
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| Compound Name |
3,4-bis(fluoranyl)-N-[(2S)-1-(4-oxidanylidene-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propan-2-yl]benzamide;2,2,2-tris(fluoranyl)ethanoic acid
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| Structure |
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| Formula |
C23H26F2N4O2
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| Molecular Weight |
428.483
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| Canonical SMILES |
C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1ccccc1)NC(=O)c1ccc(F)c(F)c1
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| InChI |
InChI=1S/C23H26F2N4O2/c1-16(27-21(30)17-7-8-19(24)20(25)13-17)14-28-11-9-23(10-12-28)22(31)26-15-29(23)18-5-3-2-4-6-18/h2-8,13,16H,9-12,14-15H2,1H3,(H,26,31)(H,27,30)/t16-/m0/s1
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| InChIKey |
JMFQTTHZMGEEHM-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