General Information of the Compound
| Compound ID |
CP0063871
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| Compound Name |
9-Fluoro-2,2,4-trimethyl-5-[1-(3-methyl-pyridin-4-yl)-meth-(Z)-ylidene]-2,5-dihydro-1H-6-oxa-1-aza-chrysene
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| Structure |
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| Formula |
C26H23FN2O
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| Molecular Weight |
398.481
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| Canonical SMILES |
CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4O\C(=C/c4ccncc4C)c3c12
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| InChI |
InChI=1S/C26H23FN2O/c1-15-13-26(3,4)29-21-7-6-19-20-12-18(27)5-8-22(20)30-23(25(19)24(15)21)11-17-9-10-28-14-16(17)2/h5-14,29H,1-4H3/b23-11-
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| InChIKey |
KCVAVMXQQQXOLI-KSEXSDGBSA-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