General Information of the Compound
| Compound ID |
CP0477517
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| Compound Name |
N-[2-[1-(3,4-difluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]quinoline-3-carboxamide
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| Structure |
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| Formula |
C25H25F2N5O2
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| Molecular Weight |
465.504
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| Canonical SMILES |
Fc1ccc(cc1F)N1CNC(=O)C11CCN(CCNC(=O)c2cnc3ccccc3c2)CC1
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| InChI |
InChI=1S/C25H25F2N5O2/c26-20-6-5-19(14-21(20)27)32-16-30-24(34)25(32)7-10-31(11-8-25)12-9-28-23(33)18-13-17-3-1-2-4-22(17)29-15-18/h1-6,13-15H,7-12,16H2,(H,28,33)(H,30,34)
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| InChIKey |
FWKWDIDROGEGKL-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