General Information of the Compound
| Compound ID |
CP0503076
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| Compound Name |
N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]-1-benzothiophene-2-carboxamide
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| Structure |
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| Formula |
C24H26N4O2S
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| Molecular Weight |
434.565
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| Canonical SMILES |
O=C(NCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1cc2ccccc2s1
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| InChI |
InChI=1S/C24H26N4O2S/c29-22(21-16-18-6-4-5-9-20(18)31-21)25-12-15-27-13-10-24(11-14-27)23(30)26-17-28(24)19-7-2-1-3-8-19/h1-9,16H,10-15,17H2,(H,25,29)(H,26,30)
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| InChIKey |
WFSVIFFWDRTKKQ-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