General Information of the Compound
| Compound ID |
CP0537719
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| Compound Name |
4-[4-[(1S,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-8-yl]phenyl]-7-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylic acid
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| Structure |
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| Formula |
C32H28F3NO3
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| Molecular Weight |
531.574
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| Canonical SMILES |
COC1([C@H]2CC[C@H]1CNC2)c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O
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| InChI |
InChI=1S/C32H28F3NO3/c1-39-31(26-11-12-27(31)18-36-17-26)24-7-4-20(5-8-24)29-16-23(30(37)38)15-22-14-21(6-13-28(22)29)19-2-9-25(10-3-19)32(33,34)35/h2-10,13-16,26-27,36H,11-12,17-18H2,1H3,(H,37,38)/t26-,27-/m0/s1
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| InChIKey |
NILNYSGJQCHJBX-SVBPBHIXSA-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