General Information of the Compound
| Compound ID |
CP0471740
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| Compound Name |
N-[2-[(4R)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]ethyl]-3-phenylprop-2-ynamide
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| Structure |
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| Formula |
C25H26FN3O2
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| Molecular Weight |
419.5
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| Canonical SMILES |
Fc1ccc(cc1)[C@H]1CNC(=O)C11CCN(CCNC(=O)C#Cc2ccccc2)CC1
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| InChI |
InChI=1S/C25H26FN3O2/c26-21-9-7-20(8-10-21)22-18-28-24(31)25(22)12-15-29(16-13-25)17-14-27-23(30)11-6-19-4-2-1-3-5-19/h1-5,7-10,22H,12-18H2,(H,27,30)(H,28,31)/t22-/m1/s1
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| InChIKey |
XLYJDADVPNRGRF-JOCHJYFZSA-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