General Information of the Compound
| Compound ID |
CP0104457
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| Compound Name |
9-Bromo-7-fluoro-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene-8-carbaldehyde
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| Structure |
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| Formula |
C20H17BrFNO2
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| Molecular Weight |
402.263
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| Canonical SMILES |
CC1=CC(C)(C)Nc2ccc-3c(COc4c(F)c(C=O)c(Br)cc-34)c12
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| InChI |
InChI=1S/C20H17BrFNO2/c1-10-7-20(2,3)23-16-5-4-11-12-6-15(21)13(8-24)18(22)19(12)25-9-14(11)17(10)16/h4-8,23H,9H2,1-3H3
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| InChIKey |
VXRUDZMHVUXDPT-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