General Information of the Compound
| Compound ID |
CP0184817
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| Compound Name |
1-Nitro-4-(4,6,6-trimethyl-2-methylene-cyclohex-3-enylmethyl)-benzene
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| Structure |
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| Formula |
C17H21NO2
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| Molecular Weight |
271.36
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| Canonical SMILES |
CC1=CC(=C)C(Cc2ccc(cc2)[N+]([O-])=O)C(C)(C)C1
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| InChI |
InChI=1S/C17H21NO2/c1-12-9-13(2)16(17(3,4)11-12)10-14-5-7-15(8-6-14)18(19)20/h5-9,16H,2,10-11H2,1,3-4H3
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| InChIKey |
RUBRWONSGNOQIS-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