General Information of the Compound
| Compound ID |
CP0283936
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| Compound Name |
(1S)-1-[6-[11-methyl-3-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzazepin-8-yl]pyridin-2-yl]ethane-1,2-diol
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| Structure |
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| Formula |
C23H21F3N2O2
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| Molecular Weight |
414.427
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| Canonical SMILES |
CN1c2ccc(cc2CCc2cc(ccc12)C(F)(F)F)-c1cccc(n1)[C@H](O)CO
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| InChI |
InChI=1S/C23H21F3N2O2/c1-28-20-9-7-14(18-3-2-4-19(27-18)22(30)13-29)11-15(20)5-6-16-12-17(23(24,25)26)8-10-21(16)28/h2-4,7-12,22,29-30H,5-6,13H2,1H3/t22-/m1/s1
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| InChIKey |
UBKUXPTYBVLCEK-JOCHJYFZSA-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