General Information of the Compound
| Compound ID |
CP0268835
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| Compound Name |
1-(8-tert-Butyl-4,4-dimethyl-chroman-6-yl)-4-cyclopropyl-butan-1-one
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| Structure |
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| Formula |
C22H32O2
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| Molecular Weight |
328.496
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| Canonical SMILES |
CC(C)(C)c1cc(cc2c1OCCC2(C)C)C(=O)CCCC1CC1
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| InChI |
InChI=1S/C22H32O2/c1-21(2,3)17-13-16(19(23)8-6-7-15-9-10-15)14-18-20(17)24-12-11-22(18,4)5/h13-15H,6-12H2,1-5H3
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| InChIKey |
PGIRHMOXRXNJAD-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