General Information of the Compound
| Compound ID |
CP0338414
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| Compound Name |
N-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
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| Structure |
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| Formula |
C24H22F3N3O2
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| Molecular Weight |
441.453
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| Canonical SMILES |
FC(F)(F)c1ccc(CCC(=O)Nc2ccc3nc(ccc3c2)N2CC3CC2CO3)cc1
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| InChI |
InChI=1S/C24H22F3N3O2/c25-24(26,27)17-5-1-15(2-6-17)3-10-23(31)28-18-7-8-21-16(11-18)4-9-22(29-21)30-13-20-12-19(30)14-32-20/h1-2,4-9,11,19-20H,3,10,12-14H2,(H,28,31)
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| InChIKey |
DCTXDZRQZOKNLS-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