General Information of the Compound
| Compound ID |
CP0453719
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| Compound Name |
9-Fluoro-5-[1-(2-isopropyl-phenyl)-meth-(Z)-ylidene]-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene
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| Structure |
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| Formula |
C29H28FNO
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| Molecular Weight |
425.547
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| Canonical SMILES |
CC(C)c1ccccc1\C=C1/Oc2ccc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12
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| InChI |
InChI=1S/C29H28FNO/c1-17(2)21-9-7-6-8-19(21)14-26-28-22(23-15-20(30)10-13-25(23)32-26)11-12-24-27(28)18(3)16-29(4,5)31-24/h6-17,31H,1-5H3/b26-14-
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| InChIKey |
QXUJGHLIYHYUAH-WGARJPEWSA-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