General Information of the Compound
| Compound ID |
CP0041290
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| Compound Name |
MLS000069541
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| Synonyms |
6-MNA (oral), Nobex
NNB-001
NNB-004
NNB-005
Nabumetone
Nabumetone (oral)
Nabumetone (oral), Nobex
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| Structure |
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| Formula |
C15H16O2
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| Molecular Weight |
228.291
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| Canonical SMILES |
COc1ccc2cc(CCC(C)=O)ccc2c1
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| InChI |
InChI=1S/C15H16O2/c1-11(16)3-4-12-5-6-14-10-15(17-2)8-7-13(14)9-12/h5-10H,3-4H2,1-2H3
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| InChIKey |
BLXXJMDCKKHMKV-UHFFFAOYSA-N
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| CAS |
42924-53-8
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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: PT00918, Amine oxidase [flavin-containing] A
Protein ID: PT01002, Cytochrome P450 1A2
Clinical Information about the Compound