General Information of the Compound
| Compound ID |
CP0196282
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| Compound Name |
1-(7-tert-Butyl-2,3-dihydro-benzofuran-5-yl)-4-cyclopropyl-butan-1-one
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| Structure |
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| Formula |
C19H26O2
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| Molecular Weight |
286.415
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| Canonical SMILES |
CC(C)(C)c1cc(cc2CCOc12)C(=O)CCCC1CC1
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| InChI |
InChI=1S/C19H26O2/c1-19(2,3)16-12-15(11-14-9-10-21-18(14)16)17(20)6-4-5-13-7-8-13/h11-13H,4-10H2,1-3H3
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| InChIKey |
QDHZXGMIXINGGX-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