General Information of the Compound
| Compound ID |
CP0193258
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| Compound Name |
9-Fluoro-2,2,4-trimethyl-5-[1-(2-trifluoromethyl-phenyl)-meth-(Z)-ylidene]-2,5-dihydro-1H-6-oxa-1-aza-chrysene
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| Structure |
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| Formula |
C27H21F4NO
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| Molecular Weight |
451.463
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| Canonical SMILES |
CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4O\C(=C/c4ccccc4C(F)(F)F)c3c12
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| InChI |
InChI=1S/C27H21F4NO/c1-15-14-26(2,3)32-21-10-9-18-19-13-17(28)8-11-22(19)33-23(25(18)24(15)21)12-16-6-4-5-7-20(16)27(29,30)31/h4-14,32H,1-3H3/b23-12-
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| InChIKey |
KRGHYOHPNZAIEO-FMCGGJTJSA-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