General Information of the Compound
| Compound ID |
CP0572114
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| Compound Name |
4-[4-[(1R,4S)-2-azabicyclo[2.2.2]oct-5-en-5-yl]phenyl]-7-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylic acid
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| Structure |
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| Formula |
C31H24F3NO2
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| Molecular Weight |
499.532
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| Canonical SMILES |
OC(=O)c1cc(-c2ccc(cc2)C2=C[C@H]3CC[C@@H]2CN3)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C31H24F3NO2/c32-31(33,34)25-9-5-18(6-10-25)21-8-12-27-23(13-21)14-24(30(36)37)15-29(27)20-3-1-19(2-4-20)28-16-26-11-7-22(28)17-35-26/h1-6,8-10,12-16,22,26,35H,7,11,17H2,(H,36,37)/t22-,26-/m1/s1
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| InChIKey |
JNJOGAAZKPQRKX-ATIYNZHBSA-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