General Information of the Compound
| Compound ID |
CP0439230
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| Compound Name |
(1-(5-Hydroxypentyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
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| Structure |
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| Formula |
C21H29NO2
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| Molecular Weight |
327.468
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| Canonical SMILES |
CC1(C)C(C(=O)c2cn(CCCCCO)c3ccccc23)C1(C)C
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| InChI |
InChI=1S/C21H29NO2/c1-20(2)19(21(20,3)4)18(24)16-14-22(12-8-5-9-13-23)17-11-7-6-10-15(16)17/h6-7,10-11,14,19,23H,5,8-9,12-13H2,1-4H3
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| InChIKey |
AFWBYMXUEMOBRP-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