General Information of the Compound
| Compound ID |
CP0452544
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| Compound Name |
N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]-3-phenylprop-2-ynamide
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| Structure |
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| Formula |
C24H26N4O2
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| Molecular Weight |
402.498
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| Canonical SMILES |
O=C(NCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)C#Cc1ccccc1
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| InChI |
InChI=1S/C24H26N4O2/c29-22(12-11-20-7-3-1-4-8-20)25-15-18-27-16-13-24(14-17-27)23(30)26-19-28(24)21-9-5-2-6-10-21/h1-10H,13-19H2,(H,25,29)(H,26,30)
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| InChIKey |
RPRLOVBRQBKAFJ-UHFFFAOYSA-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