General Information of the Compound
| Compound ID |
CP0396587
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| Compound Name |
3,4-difluoro-N-[(2S)-1-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]propan-2-yl]benzamide
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| Structure |
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| Formula |
C23H25F3N4O2
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| Molecular Weight |
446.473
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| Canonical SMILES |
C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1cccc(F)c1)NC(=O)c1ccc(F)c(F)c1
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| InChI |
InChI=1S/C23H25F3N4O2/c1-15(28-21(31)16-5-6-19(25)20(26)11-16)13-29-9-7-23(8-10-29)22(32)27-14-30(23)18-4-2-3-17(24)12-18/h2-6,11-12,15H,7-10,13-14H2,1H3,(H,27,32)(H,28,31)/t15-/m0/s1
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| InChIKey |
SGLNMMAPIOUVCB-HNNXBMFYSA-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