General Information of the Compound
| Compound ID |
CP0566575
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| Compound Name |
2-[8-[6-[(1S)-1,2-dihydroxyethyl]pyridin-2-yl]-3-(trifluoromethyl)-6H-benzo[b][1,4]benzoxazepin-5-yl]acetamide
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| Structure |
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| Formula |
C23H20F3N3O4
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| Molecular Weight |
459.424
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| Canonical SMILES |
NC(=O)CN1Cc2cc(ccc2Oc2ccc(cc12)C(F)(F)F)-c1cccc(n1)[C@H](O)CO
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| InChI |
InChI=1S/C23H20F3N3O4/c24-23(25,26)15-5-7-21-18(9-15)29(11-22(27)32)10-14-8-13(4-6-20(14)33-21)16-2-1-3-17(28-16)19(31)12-30/h1-9,19,30-31H,10-12H2,(H2,27,32)/t19-/m1/s1
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| InChIKey |
JWEWFBLIDVBDDL-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