General Information of the Compound
| Compound ID |
CP0502780
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| Compound Name |
N-[2-[1-(3,4-difluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]naphthalene-2-carboxamide
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| Structure |
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| Formula |
C26H26F2N4O2
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| Molecular Weight |
464.516
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| Canonical SMILES |
Fc1ccc(cc1F)N1CNC(=O)C11CCN(CCNC(=O)c2ccc3ccccc3c2)CC1
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| InChI |
InChI=1S/C26H26F2N4O2/c27-22-8-7-21(16-23(22)28)32-17-30-25(34)26(32)9-12-31(13-10-26)14-11-29-24(33)20-6-5-18-3-1-2-4-19(18)15-20/h1-8,15-16H,9-14,17H2,(H,29,33)(H,30,34)
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| InChIKey |
SGQZPQLYBRRDMU-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