General Information of the Compound
| Compound ID |
CP0526629
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| Compound Name |
3-methyl-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 |
C24H30N4O2
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| Molecular Weight |
406.53
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| Canonical SMILES |
C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1ccccc1)NC(=O)c1cccc(C)c1
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| InChI |
InChI=1S/C24H30N4O2/c1-18-7-6-8-20(15-18)22(29)26-19(2)16-27-13-11-24(12-14-27)23(30)25-17-28(24)21-9-4-3-5-10-21/h3-10,15,19H,11-14,16-17H2,1-2H3,(H,25,30)(H,26,29)/t19-/m0/s1
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| InChIKey |
DODDTHJKIFEUFE-IBGZPJMESA-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