General Information of the Compound
| Compound ID |
CP0139727
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| Compound Name |
N-(1-adamantyl)-4-oxo-1-pentyl-6-(trifluoromethyl)quinoline-3-carboxamide
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| Structure |
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| Formula |
C26H31F3N2O2
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| Molecular Weight |
460.54
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| Canonical SMILES |
CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)C(F)(F)F
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| InChI |
InChI=1S/C26H31F3N2O2/c1-2-3-4-7-31-15-21(23(32)20-11-19(26(27,28)29)5-6-22(20)31)24(33)30-25-12-16-8-17(13-25)10-18(9-16)14-25/h5-6,11,15-18H,2-4,7-10,12-14H2,1H3,(H,30,33)
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| InChIKey |
MNDCLIWVYAIYDM-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