General Information of the Compound
| Compound ID |
CP0051324
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| Compound Name |
6-Bromo-4-oxo-1-prop-2-ynyl-1,4-dihydro-quinoline-3-carboxylic acid adamantan-1-ylamide
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| Structure |
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| Formula |
C23H23BrN2O2
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| Molecular Weight |
439.353
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| Canonical SMILES |
Brc1ccc2n(CC#C)cc(C(=O)NC34CC5CC(CC(C5)C3)C4)c(=O)c2c1
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| InChI |
InChI=1S/C23H23BrN2O2/c1-2-5-26-13-19(21(27)18-9-17(24)3-4-20(18)26)22(28)25-23-10-14-6-15(11-23)8-16(7-14)12-23/h1,3-4,9,13-16H,5-8,10-12H2,(H,25,28)
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| InChIKey |
PHNRPWAVVNJJKR-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