General Information of the Compound
| Compound ID |
CP0110330
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| Compound Name |
9-Bromo-7-methoxy-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene
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| Structure |
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| Formula |
C20H20BrNO2
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| Molecular Weight |
386.289
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| Canonical SMILES |
COc1cc(Br)cc-2c1OCc1c-2ccc2NC(C)(C)C=C(C)c12
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| InChI |
InChI=1S/C20H20BrNO2/c1-11-9-20(2,3)22-16-6-5-13-14-7-12(21)8-17(23-4)19(14)24-10-15(13)18(11)16/h5-9,22H,10H2,1-4H3
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| InChIKey |
MZIFJAQJEZFKDE-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