General Information of the Compound
| Compound ID |
CP0420369
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| Compound Name |
(1S)-1-[6-[5-methyl-8-(trifluoromethyl)-6H-benzo[b][1,4]benzoxazepin-3-yl]pyridin-2-yl]ethane-1,2-diol
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| Structure |
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| Formula |
C22H19F3N2O3
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| Molecular Weight |
416.399
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| Canonical SMILES |
CN1Cc2cc(ccc2Oc2ccc(cc12)-c1cccc(n1)[C@H](O)CO)C(F)(F)F
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| InChI |
InChI=1S/C22H19F3N2O3/c1-27-11-14-9-15(22(23,24)25)6-8-20(14)30-21-7-5-13(10-18(21)27)16-3-2-4-17(26-16)19(29)12-28/h2-10,19,28-29H,11-12H2,1H3/t19-/m1/s1
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| InChIKey |
FPJZEFBQEKTWJO-LJQANCHMSA-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