General Information of the Compound
| Compound ID |
CP0266550
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| Compound Name |
2,2,4-Trimethyl-9-nitro-2,3,4,5-tetrahydro-1H-6-oxa-1-aza-chrysene
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| Structure |
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| Formula |
C19H20N2O3
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| Molecular Weight |
324.38
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| Canonical SMILES |
CC1CC(C)(C)Nc2ccc-3c(COc4ccc(cc-34)[N+]([O-])=O)c12
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| InChI |
InChI=1S/C19H20N2O3/c1-11-9-19(2,3)20-16-6-5-13-14-8-12(21(22)23)4-7-17(14)24-10-15(13)18(11)16/h4-8,11,20H,9-10H2,1-3H3
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| InChIKey |
JXCHEAFROKFUTG-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