General Information of the Compound
| Compound ID |
CP0471739
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| Compound Name |
4-fluoro-N-[(2S)-1-[(4S)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]propan-2-yl]benzamide
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| Structure |
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| Formula |
C24H27F2N3O2
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| Molecular Weight |
427.495
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| Canonical SMILES |
C[C@@H](CN1CCC2(CC1)[C@@H](CNC2=O)c1ccc(F)cc1)NC(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C24H27F2N3O2/c1-16(28-22(30)18-4-8-20(26)9-5-18)15-29-12-10-24(11-13-29)21(14-27-23(24)31)17-2-6-19(25)7-3-17/h2-9,16,21H,10-15H2,1H3,(H,27,31)(H,28,30)/t16-,21-/m0/s1
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| InChIKey |
ZRRZCDIHCHFDRR-KKSFZXQISA-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