General Information of the Compound
| Compound ID |
CP0367405
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| Compound Name |
5-(4-Fluoro-3-trifluoromethyl-phenyl)-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene
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| Structure |
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| Formula |
C26H21F4NO
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| Molecular Weight |
439.452
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| Canonical SMILES |
CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4ccc(F)c(c4)C(F)(F)F)c3c12
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| InChI |
InChI=1S/C26H21F4NO/c1-14-13-25(2,3)31-20-11-9-17-16-6-4-5-7-21(16)32-24(23(17)22(14)20)15-8-10-19(27)18(12-15)26(28,29)30/h4-13,24,31H,1-3H3
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| InChIKey |
BMIDVCHQTQWMNU-UHFFFAOYSA-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