General Information of the Compound
| Compound ID |
CP0401581
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| Compound Name |
(1-Butyl-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
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| Structure |
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| Formula |
C20H27NO
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| Molecular Weight |
297.442
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| Canonical SMILES |
CCCCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc12
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| InChI |
InChI=1S/C20H27NO/c1-6-7-12-21-13-15(14-10-8-9-11-16(14)21)17(22)18-19(2,3)20(18,4)5/h8-11,13,18H,6-7,12H2,1-5H3
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| InChIKey |
WHHNPKDWXUKGLJ-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