General Information of the Compound
| Compound ID |
CP0102143
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| Compound Name |
6-(2,4-Difluoro-phenyl)-4-oxo-1-pentyl-1,4-dihydro-quinoline-3-carboxylic acid adamantan-1-ylamide
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| Structure |
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| Formula |
C31H34F2N2O2
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| Molecular Weight |
504.621
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| Canonical SMILES |
CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-c1ccc(F)cc1F
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| InChI |
InChI=1S/C31H34F2N2O2/c1-2-3-4-9-35-18-26(30(37)34-31-15-19-10-20(16-31)12-21(11-19)17-31)29(36)25-13-22(5-8-28(25)35)24-7-6-23(32)14-27(24)33/h5-8,13-14,18-21H,2-4,9-12,15-17H2,1H3,(H,34,37)
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| InChIKey |
GAPYDVKOGFLHNF-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